[(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(4-isopropylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-p-cumenyl-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(C[NH3+])N2CCC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C[NH3+])N2CCC[NH+](CC2)C

InChI

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