[4-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-[(3,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(3,4-dimethylbenzyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-16-3-4-19(13-17(16)2)15-22-9-11-23(12-10-22)20-7-5-18(14-21)6-8-20/h3-8,13H,9-12,14-15,21H2,1-2H3/p+2