[(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-methylphenyl)propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)N2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@@H](C)N2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C16H27N3/c1-13-5-7-15(8-6-13)16(17)14(2)19-10-4-9-18(3)11-12-19/h5-8,14,16H,4,9-12,17H2,1-3H3/p+2/t14-,16+/m1/s1