1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(3S)-3-(4-chlorophenyl)-4-methylpentyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(3S)-3-(4-chlorophenyl)-4-methylpentyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium Formula: C17H29ClN2+2 MolecularWeight: 296.87856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH+]1CC[NH+](CC1)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@H](CC[NH+]1CC[NH+](CC1)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H27ClN2/c1-14(2)17(15-4-6-16(18)7-5-15)8-9-20-12-10-19(3)11-13-20/h4-7,14,17H,8-13H2,1-3H3/p+2/t17-/m0/s1