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

Systemtic Name: 4-[2-azanyl-3-[1-(2-azanylethanoyl)-2-cyclohexyl-5-ethanoyl-4-methyl-pyridin-1-ium-3-yl]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[3-[5-acetyl-1-(2-aminoacetyl)-2-cyclohexyl-4-methyl-pyridin-1-ium-3-yl]-2-amino-3-oxo-propyl]benzamidine CAS Name: 4-[3-[5-acetyl-1-(2-amino-1-oxoethyl)-2-cyclohexyl-4-methyl-3-pyridin-1-iumyl]-2-amino-3-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[3-[5-acetyl-1-(2-aminoacetyl)-2-cyclohexyl-4-methylpyridin-1-ium-3-yl]-2-amino-3-oxopropyl]benzenecarboximidamide Traditional Name: 4-[3-(5-acetyl-2-cyclohexyl-1-glycyl-4-methyl-pyridin-1-ium-3-yl)-2-amino-3-keto-propyl]benzamidine Formula: C26H34N5O3+ MolecularWeight: 464.57986

Click to see the large picture

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

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

InChI

InChI=1S/C26H34N5O3/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/h8-11,14,18,21H,3-7,12-13,27-28H2,1-2H3,(H3,29,30)/q+1