[(2S)-2-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-butyl]azanium

Systemtic Name: [(2S)-2-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-butyl]azanium Openeye Name: [(2S)-2-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-butyl]ammonium CAS Name: [(2S)-2-methyl-2-(4-methyl-1-piperazin-4-iumyl)-4-phenylbutyl]ammonium IUPAC Name: [(2S)-2-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-phenylbutyl]azanium Traditional Name: [(2S)-2-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-butyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(C[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

C[C@](CCC1=CC=CC=C1)(C[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C16H27N3/c1-16(14-17,19-12-10-18(2)11-13-19)9-8-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3/p+2/t16-/m0/s1