N-[(3-chlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C18H22ClN4O+ MolecularWeight: 345.84648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

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