7-chloranyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]quinolin-1-ium Formula: C21H24ClN3+2 MolecularWeight: 353.88836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H22ClN3/c1-16-4-2-3-5-17(16)15-24-10-12-25(13-11-24)21-8-9-23-20-14-18(22)6-7-19(20)21/h2-9,14H,10-13,15H2,1H3/p+2