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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-(3-methoxypropyl)azanium Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-(3-methoxypropyl)ammonium CAS Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(3-methoxypropyl)ammonium IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(3-methoxypropyl)azanium Traditional Name: [2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-(3-methoxypropyl)ammonium Formula: C21H31N2O4S+ MolecularWeight: 407.54684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-25-12-5-10-22-15-21(24)23(16-18-6-4-13-28-18)11-9-17-7-8-19(26-2)20(14-17)27-3/h4,6-8,13-14,22H,5,9-12,15-16H2,1-3H3/p+1