furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-(3-oxidanylidene-3-phenylazanyl-propyl)azanium

Systemtic Name: furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-(3-oxidanylidene-3-phenylazanyl-propyl)azanium Openeye Name: (3-anilino-3-oxo-propyl)-(2-furylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (3-anilino-3-oxopropyl)-(2-furanylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (3-anilino-3-oxopropyl)-(furan-2-ylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3-anilino-3-keto-propyl)-(2-furfuryl)-[4-(methylcarbamoyl)benzyl]ammonium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](CCC(=O)NC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](CCC(=O)NC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C23H25N3O3/c1-24-23(28)19-11-9-18(10-12-19)16-26(17-21-8-5-15-29-21)14-13-22(27)25-20-6-3-2-4-7-20/h2-12,15H,13-14,16-17H2,1H3,(H,24,28)(H,25,27)/p+1