1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-[(1S)-1-(1-benzyltetrazol-5-yl)-2-methyl-propyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(phenylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(1S)-1-(1-benzyltetrazol-5-yl)-2-methyl-propyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C24H33N6+ MolecularWeight: 405.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C3=NN=NN3CC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C3=NN=NN3CC4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C24H32N6/c1-18(2)23(24-25-26-27-30(24)17-21-10-6-5-7-11-21)29-15-13-28(14-16-29)22-12-8-9-19(3)20(22)4/h5-12,18,23H,13-17H2,1-4H3/p+1/t23-/m0/s1