N-(2-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2-chlorophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C18H23ClN4O+2 MolecularWeight: 346.85442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21ClN4O/c19-15-5-1-2-6-16(15)21-18(24)8-10-22-11-13-23(14-12-22)17-7-3-4-9-20-17/h1-7,9H,8,10-14H2,(H,21,24)/p+2