1-[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]ethyl]azepan-1-ium

Systemtic Name: 1-[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]ethyl]azepan-1-ium Openeye Name: 1-[2-[(2S)-2-methyl-4-(p-tolyl)piperazin-1-yl]ethyl]azepan-1-ium CAS Name: 1-[2-[(2S)-2-methyl-4-(4-methylphenyl)-1-piperazinyl]ethyl]azepan-1-ium IUPAC Name: 1-[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]ethyl]azepan-1-ium Traditional Name: 1-[2-[(2S)-2-methyl-4-(p-tolyl)piperazino]ethyl]azepan-1-ium Formula: C20H34N3+ MolecularWeight: 316.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC[NH+]2CCCCCC2)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CN(CCN1CC[NH+]2CCCCCC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H33N3/c1-18-7-9-20(10-8-18)23-16-15-22(19(2)17-23)14-13-21-11-5-3-4-6-12-21/h7-10,19H,3-6,11-17H2,1-2H3/p+1/t19-/m0/s1