N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carboxamide Formula: C19H24ClN4O+ MolecularWeight: 359.87306

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)CCC3=CC=NC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)CCC3=CC=NC=C3

InChI

InChI=1S/C19H23ClN4O/c20-17-3-1-4-18(15-17)22-19(25)24-11-2-10-23(13-14-24)12-7-16-5-8-21-9-6-16/h1,3-6,8-9,15H,2,7,10-14H2,(H,22,25)/p+1