[2-[4-[3-(3-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-[3-(3-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[3-(m-tolyl)propyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[3-(3-methylphenyl)propyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[3-(3-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-[3-(m-tolyl)propyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C21H31N3+2 MolecularWeight: 325.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)CCC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C21H29N3/c1-18-6-4-7-19(16-18)8-5-11-23-12-14-24(15-13-23)21-10-3-2-9-20(21)17-22/h2-4,6-7,9-10,16H,5,8,11-15,17,22H2,1H3/p+2