carboxymethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-(pyridin-3-ylmethylidene)azanium dihydrochloride

Systemtic Name: carboxymethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-(pyridin-3-ylmethylidene)azanium dihydrochloride Openeye Name: carboxymethyl-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-(3-pyridylmethylene)ammonium dihydrochloride CAS Name: carboxymethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(3-pyridinylmethylidene)ammonium dihydrochloride IUPAC Name: carboxymethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-(pyridin-3-ylmethylidene)azanium dihydrochloride Traditional Name: 2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-(carboxymethyl)-(3-pyridylmethylene)ammonium dihydrochloride Formula: C23H30Cl2N3O5+ MolecularWeight: 499.4074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CN=CC=C2)CC(=O)O.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CN=CC=C2)CC(=O)O.Cl.Cl

InChI

InChI=1S/C23H27N3O5.2ClH/c1-3-31-23(30)20(12-11-18-8-5-4-6-9-18)25-17(2)22(29)26(16-21(27)28)15-19-10-7-13-24-14-19;;/h4-10,13-15,17,20,25H,3,11-12,16H2,1-2H3;2*1H/p+1