2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C20H23N3+2 MolecularWeight: 305.41672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H21N3/c1-2-6-17(7-3-1)16-22-12-14-23(15-13-22)20-11-10-18-8-4-5-9-19(18)21-20/h1-11H,12-16H2/p+2