1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(3S)-3-(4-chlorophenyl)-4-methylpentyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(3S)-3-(4-chlorophenyl)-4-methylpentyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-4-methyl-piperazin-4-ium Formula: C17H28ClN2+ MolecularWeight: 295.87062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN1CC[NH+](CC1)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@H](CCN1CC[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+1/t17-/m0/s1