[(1S)-1-(4-cyanophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(1S)-1-(4-cyanophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-(4-cyanophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(1S)-1-(4-cyanophenyl)ethyl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(4-cyanophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-(4-cyanophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C17H28N4+2 MolecularWeight: 288.43102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C#N)[NH2+]CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C17H26N4/c1-15(17-6-4-16(14-18)5-7-17)19-8-3-9-21-12-10-20(2)11-13-21/h4-7,15,19H,3,8-13H2,1-2H3/p+2/t15-/m0/s1