[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-quinolyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(2-quinolinyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(2-quinolyl)methanone Formula: C21H21ClN3O+ MolecularWeight: 366.86394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20ClN3O/c22-18-6-3-4-16(14-18)15-24-10-12-25(13-11-24)21(26)20-9-8-17-5-1-2-7-19(17)23-20/h1-9,14H,10-13,15H2/p+1