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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-phenylbutyl]azanium Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-phenylbutyl]ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-[(1S)-1-phenylbutyl]ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-phenylbutyl]azanium Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-phenylbutyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-3-8-18(17-9-5-4-6-10-17)19-11-7-12-21-15-13-20(2)14-16-21/h4-6,9-10,18-19H,3,7-8,11-16H2,1-2H3/p+2/t18-/m0/s1