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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-16(2)13-22-14-21(24)23(15-18-6-5-11-27-18)10-9-17-7-8-19(25-3)20(12-17)26-4/h5-8,11-12,16,22H,9-10,13-15H2,1-4H3/p+1