N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide CAS Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinecarboxamide IUPAC Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)nicotinamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O2/c1-25-13-4-14-26(16-15-25)21-11-8-19(17-24-21)22(27)23-12-3-5-18-6-9-20(28-2)10-7-18/h6-11,17H,3-5,12-16H2,1-2H3,(H,23,27)/p+1