(2-chloranylpyridin-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (2-chloranylpyridin-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (2-chloro-4-pyridyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (2-chloro-4-pyridinyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (2-chloropyridin-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (2-chloro-4-pyridyl)-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O2/c1-25-17-5-3-15(4-6-17)14-22-9-2-10-23(12-11-22)19(24)16-7-8-21-18(20)13-16/h3-8,13H,2,9-12,14H2,1H3/p+1