[(2R)-2-(2,5-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(2,5-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(2,5-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(2,5-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(2R)-2-(2,5-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(2,5-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)C(C[NH3+])C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2/c1-18-7-4-8-19(10-9-18)15(12-17)14-11-13(20-2)5-6-16(14)21-3/h5-6,11,15H,4,7-10,12,17H2,1-3H3/p+2/t15-/m0/s1