4-[2-azanyl-3-[1-(2-azanylethanoyl)-2-cyclohexyl-5-ethanoyl-4-methyl-pyridin-1-ium-3-yl]-3-oxidanylidene-propyl]benzenecarboximidamide; methylazanide

Systemtic Name: 4-[2-azanyl-3-[1-(2-azanylethanoyl)-2-cyclohexyl-5-ethanoyl-4-methyl-pyridin-1-ium-3-yl]-3-oxidanylidene-propyl]benzenecarboximidamide; methylazanide Openeye Name: 4-[3-[5-acetyl-1-(2-aminoacetyl)-2-cyclohexyl-4-methyl-pyridin-1-ium-3-yl]-2-amino-3-oxo-propyl]benzamidine; methylazanide CAS Name: 4-[3-[5-acetyl-1-(2-amino-1-oxoethyl)-2-cyclohexyl-4-methyl-3-pyridin-1-iumyl]-2-amino-3-oxopropyl]benzenecarboximidamide; methylazanide IUPAC Name: 4-[3-[5-acetyl-1-(2-aminoacetyl)-2-cyclohexyl-4-methylpyridin-1-ium-3-yl]-2-amino-3-oxopropyl]benzenecarboximidamide; methylazanide Traditional Name: 4-[3-(5-acetyl-2-cyclohexyl-1-glycyl-4-methyl-pyridin-1-ium-3-yl)-2-amino-3-keto-propyl]benzamidine; methylazanide Formula: C27H38N6O3 MolecularWeight: 494.62902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1C(=O)C)C(=O)CN)C2CCCCC2)C(=O)C(CC3=CC=C(C=C3)C(=N)N)N.C[NH-]

Isomeric SMILES

CC1=C(C(=[N+](C=C1C(=O)C)C(=O)CN)C2CCCCC2)C(=O)C(CC3=CC=C(C=C3)C(=N)N)N.C[NH-]

InChI

InChI=1S/C26H34N5O3.CH4N/c1-15-20(16(2)32)14-31(22(33)13-27)24(18-6-4-3-5-7-18)23(15)25(34)21(28)12-17-8-10-19(11-9-17)26(29)30;1-2/h8-11,14,18,21H,3-7,12-13,27-28H2,1-2H3,(H3,29,30);2H,1H3/q+1;-1