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

Systemtic Name: [(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)14(11-15)17-9-7-16(2)8-10-17/h3-6,14H,7-11,15H2,1-2H3/p+2/t14-/m1/s1