[(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC(C2=CC(=C(C=C2)OC)OC)[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@H](C2=CC(=C(C=C2)OC)OC)[NH3+]

InChI

InChI=1S/C16H27N3O2/c1-18-7-4-8-19(10-9-18)12-14(17)13-5-6-15(20-2)16(11-13)21-3/h5-6,11,14H,4,7-10,12,17H2,1-3H3/p+2/t14-/m1/s1