butyl-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: butyl-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: butyl-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]ammonium CAS Name: butyl-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]ammonium IUPAC Name: butyl-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium Traditional Name: butyl-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]ammonium Formula: C21H31N2O3S+ MolecularWeight: 391.54744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2

Isomeric SMILES

CCCC[NH2+]CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2

InChI

InChI=1S/C21H30N2O3S/c1-4-5-11-22-15-21(24)23(16-18-7-6-13-27-18)12-10-17-8-9-19(25-2)20(14-17)26-3/h6-9,13-14,22H,4-5,10-12,15-16H2,1-3H3/p+1