dimethyl-[(1R)-2-piperazin-4-ium-1-yl-1-(4-propan-2-ylphenyl)ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-piperazin-4-ium-1-yl-1-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(1R)-1-(4-isopropylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-2-(1-piperazin-4-iumyl)-1-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-piperazin-4-ium-1-yl-1-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: dimethyl-[(1R)-1-p-cumenyl-2-piperazin-4-ium-1-yl-ethyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CN2CC[NH2+]CC2)[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CN2CC[NH2+]CC2)[NH+](C)C

InChI

InChI=1S/C17H29N3/c1-14(2)15-5-7-16(8-6-15)17(19(3)4)13-20-11-9-18-10-12-20/h5-8,14,17-18H,9-13H2,1-4H3/p+2/t17-/m0/s1