N-[(3-chlorophenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)C3=CC=CC=[NH+]3

InChI

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