tert-butyl-[3-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: tert-butyl-[3-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: tert-butyl-[3-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-3-oxo-propyl]ammonium CAS Name: tert-butyl-[3-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-3-oxopropyl]ammonium IUPAC Name: tert-butyl-[3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-3-oxopropyl]azanium Traditional Name: tert-butyl-[3-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-3-keto-propyl]ammonium Formula: C16H27N2O3S+ MolecularWeight: 327.46218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC[NH2+]C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC[NH2+]C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C16H26N2O3S/c1-6-11-10-12(15(20)21-7-2)14(22-11)18-13(19)8-9-17-16(3,4)5/h10,17H,6-9H2,1-5H3,(H,18,19)/p+1