[(1S,2S)-1-(4-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]azanium

Systemtic Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]azanium Openeye Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium CAS Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium IUPAC Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]azanium Traditional Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-13(19-10-4-9-18(2)11-12-19)16(17)14-5-7-15(20-3)8-6-14/h5-8,13,16H,4,9-12,17H2,1-3H3/p+2/t13-,16+/m0/s1