[(2R)-2,4-dimethyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentyl]azanium

Systemtic Name: [(2R)-2,4-dimethyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentyl]azanium Openeye Name: [(2R)-2,4-dimethyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]pentyl]ammonium CAS Name: [(2R)-2,4-dimethyl-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]pentyl]ammonium IUPAC Name: [(2R)-2,4-dimethyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentyl]azanium Traditional Name: [(2R)-2,4-dimethyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]pentyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-15(2)13-18(4,14-19)21-10-8-20(9-11-21)17-7-5-6-16(3)12-17/h5-7,12,15H,8-11,13-14,19H2,1-4H3/p+2/t18-/m1/s1