1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Formula: C23H33N3+2 MolecularWeight: 351.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3/c1-20-6-5-7-21(18-20)19-24-12-10-23(11-13-24)26-16-14-25(15-17-26)22-8-3-2-4-9-22/h2-9,18,23H,10-17,19H2,1H3/p+2