[(2S)-2-[(2-methylphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-2-[(2-methylphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(2S)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(o-tolyl)propyl]ammonium CAS Name: [(2S)-2-[(2-methylphenyl)methyl]-3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-[(2-methylphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(2S)-2-(2-methylbenzyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C[NH3+])CN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1C[C@@H](C[NH3+])CN2CC[NH+](CC2)C

InChI

InChI=1S/C16H27N3/c1-14-5-3-4-6-16(14)11-15(12-17)13-19-9-7-18(2)8-10-19/h3-6,15H,7-13,17H2,1-2H3/p+2/t15-/m0/s1