aminocarbonyl-(2-diethylaminoethyl)-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-propan-2-yl-azanium

Systemtic Name: aminocarbonyl-(2-diethylaminoethyl)-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-propan-2-yl-azanium Openeye Name: carbamoyl-(2-diethylaminoethyl)-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-isopropyl-ammonium CAS Name: carbamoyl-(2-diethylaminoethyl)-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-propan-2-ylammonium IUPAC Name: carbamoyl-(2-diethylaminoethyl)-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-propan-2-ylazanium Traditional Name: carbamoyl-(2-diethylaminoethyl)-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-isopropyl-ammonium Formula: C20H36N3O5S+ MolecularWeight: 430.58194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+](CCS(=O)(=O)C1=CC(=C(C=C1)OC)OC)(C(C)C)C(=O)N

Isomeric SMILES

CCN(CC)CC[N+](CCS(=O)(=O)C1=CC(=C(C=C1)OC)OC)(C(C)C)C(=O)N

InChI

InChI=1S/C20H35N3O5S/c1-7-22(8-2)11-12-23(16(3)4,20(21)24)13-14-29(25,26)17-9-10-18(27-5)19(15-17)28-6/h9-10,15-16H,7-8,11-14H2,1-6H3,(H-,21,24)/p+1