2-[1-(3-azanyl-3-oxidanylidene-propyl)-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[1-(3-azanyl-3-oxidanylidene-propyl)-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 2-[1-(3-amino-3-oxo-propyl)-2,5-dioxo-pyrrol-1-ium-1-yl]-5-benzyl-thiophene-3-carboxamide CAS Name: 2-[1-(3-amino-3-oxopropyl)-2,5-dioxo-1-pyrrol-1-iumyl]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 2-[1-(3-amino-3-oxopropyl)-2,5-dioxopyrrol-1-ium-1-yl]-5-benzylthiophene-3-carboxamide Traditional Name: 2-[1-(3-amino-3-keto-propyl)-2,5-diketo-3-pyrrolin-1-ium-1-yl]-5-benzyl-thiophene-3-carboxamide Formula: C19H18N3O4S+ MolecularWeight: 384.42892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(S2)[N+]3(C(=O)C=CC3=O)CCC(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(S2)[N+]3(C(=O)C=CC3=O)CCC(=O)N)C(=O)N

InChI

InChI=1S/C19H17N3O4S/c20-15(23)8-9-22(16(24)6-7-17(22)25)19-14(18(21)26)11-13(27-19)10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H3-,20,21,23,26)/p+1