7-chloranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-chloro-quinolin-1-ium CAS Name: 7-chloro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-chloroquinolin-1-ium Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-chloro-quinolin-1-ium Formula: C20H22ClN3+2 MolecularWeight: 339.86178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C20H20ClN3/c21-17-6-7-18-19(14-17)22-9-8-20(18)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+2