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

Systemtic Name: [4-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-[3-(2-methylphenyl)propyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-[3-(o-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=C1CCC[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

InChI

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