[6-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methylazanium

Systemtic Name: [6-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methylazanium Openeye Name: [6-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methylammonium CAS Name: [6-methyl-2-(4-phenyl-1-piperazinyl)-3-quinolin-1-iumyl]methylammonium IUPAC Name: [6-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]methylazanium Traditional Name: [6-methyl-2-(4-phenylpiperazino)quinolin-1-ium-3-yl]methylammonium Formula: C21H26N4+2 MolecularWeight: 334.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCN(CC3)C4=CC=CC=C4)C[NH3+]

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCN(CC3)C4=CC=CC=C4)C[NH3+]

InChI

InChI=1S/C21H24N4/c1-16-7-8-20-17(13-16)14-18(15-22)21(23-20)25-11-9-24(10-12-25)19-5-3-2-4-6-19/h2-8,13-14H,9-12,15,22H2,1H3/p+2