N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(4-keto-6-methyl-1H-pyrimidin-2-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-19-17-25(31)29-24(28-19)18-27-26(32)21-7-9-22(10-8-21)33-23-12-15-30(16-13-23)14-11-20-5-3-2-4-6-20/h2-10,17,23H,11-16,18H2,1H3,(H,27,32)(H,28,29,31)/p+1