5-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]carbonyl-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]carbonyl-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-isopentyl-5-[4-(2-methoxyethyl)piperazin-4-ium-1-carbonyl]-1-[(2-methoxyphenyl)methyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(2-methoxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-[4-(2-methoxyethyl)piperazin-4-ium-1-carbonyl]-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide Traditional Name: N-isoamyl-4-keto-5-[4-(2-methoxyethyl)piperazin-4-ium-1-carbonyl]-1-o-anisyl-nicotinamide Formula: C27H39N4O5+ MolecularWeight: 499.62236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CCOC)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CCOC)CC3=CC=CC=C3OC

InChI

InChI=1S/C27H38N4O5/c1-20(2)9-10-28-26(33)22-18-30(17-21-7-5-6-8-24(21)36-4)19-23(25(22)32)27(34)31-13-11-29(12-14-31)15-16-35-3/h5-8,18-20H,9-17H2,1-4H3,(H,28,33)/p+1