N-(3-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(8-quinolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(8-quinolinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(8-quinolylmethyl)piperazin-4-ium-1-carboxamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O/c22-18-7-2-8-19(14-18)24-21(27)26-12-10-25(11-13-26)15-17-5-1-4-16-6-3-9-23-20(16)17/h1-9,14H,10-13,15H2,(H,24,27)/p+1