[(1S)-2-(4-methylpiperazin-4-ium-1-yl)-1-(4-propan-2-ylphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(4-methylpiperazin-4-ium-1-yl)-1-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-2-(4-methyl-1-piperazin-4-iumyl)-1-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(4-methylpiperazin-4-ium-1-yl)-1-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(4-methylpiperazin-4-ium-1-yl)-1-p-cumenyl-ethyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CN2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](CN2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C16H27N3/c1-13(2)14-4-6-15(7-5-14)16(17)12-19-10-8-18(3)9-11-19/h4-7,13,16H,8-12,17H2,1-3H3/p+2/t16-/m1/s1