carboxymethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-(thiophen-2-ylmethylidene)azanium

Systemtic Name: carboxymethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-(thiophen-2-ylmethylidene)azanium Openeye Name: carboxymethyl-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-(2-thienylmethylene)ammonium CAS Name: carboxymethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(thiophen-2-ylmethylidene)ammonium IUPAC Name: carboxymethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-(thiophen-2-ylmethylidene)azanium Traditional Name: 2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-(carboxymethyl)-(2-thenylidene)ammonium Formula: C22H27N2O5S+ MolecularWeight: 431.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CC=CS2)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CC=CS2)CC(=O)O

InChI

InChI=1S/C22H26N2O5S/c1-3-29-22(28)19(12-11-17-8-5-4-6-9-17)23-16(2)21(27)24(15-20(25)26)14-18-10-7-13-30-18/h4-10,13-14,16,19,23H,3,11-12,15H2,1-2H3/p+1