[(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 3,4-diethoxybenzoate

Systemtic Name: [(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 3,4-diethoxybenzoate Openeye Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [(E)-[amino-[4-(1-piperidin-1-iumylmethyl)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)ON=C(C2=CC=C(C=C2)C[NH+]3CCCCC3)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O/N=C(\C2=CC=C(C=C2)C[NH+]3CCCCC3)/N)OCC

InChI

InChI=1S/C24H31N3O4/c1-3-29-21-13-12-20(16-22(21)30-4-2)24(28)31-26-23(25)19-10-8-18(9-11-19)17-27-14-6-5-7-15-27/h8-13,16H,3-7,14-15,17H2,1-2H3,(H2,25,26)/p+1