1-[(S)-(2,5-dimethylphenyl)-phenyl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(2,5-dimethylphenyl)-phenyl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(2,5-dimethylphenyl)-phenyl-methyl]piperazin-4-ium CAS Name: 1-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-4-ium IUPAC Name: 1-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(2,5-dimethylphenyl)-phenyl-methyl]piperazin-4-ium Formula: C19H25N2+ MolecularWeight: 281.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](C2=CC=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C19H24N2/c1-15-8-9-16(2)18(14-15)19(17-6-4-3-5-7-17)21-12-10-20-11-13-21/h3-9,14,19-20H,10-13H2,1-2H3/p+1/t19-/m0/s1