2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H25ClN4O+2 MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C22H23ClN4O/c23-18-6-7-19-20(14-18)24-9-8-21(19)27-12-10-26(11-13-27)16-22(28)25-15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,25,28)/p+2