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

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-pyridin-3-yl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(3-pyridyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-(3-pyridinyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-pyridin-3-yl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-p-anisyl-N-(3-pyridyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H24N4O2/c1-25-18-7-5-16(6-8-18)15-22-10-3-11-23(13-12-22)19(24)21-17-4-2-9-20-14-17/h2,4-9,14H,3,10-13,15H2,1H3,(H,21,24)/p+1