[(1R,2R)-3-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-3-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-3-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-3-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-3-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-3-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-14(2)17(16(18)15-8-5-4-6-9-15)20-11-7-10-19(3)12-13-20/h4-6,8-9,14,16-17H,7,10-13,18H2,1-3H3/p+2/t16-,17-/m1/s1