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

Systemtic Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-3-15(16(17)14-8-5-4-6-9-14)19-11-7-10-18(2)12-13-19/h4-6,8-9,15-16H,3,7,10-13,17H2,1-2H3/p+2/t15-,16-/m1/s1