3-[2-(3-azanylpropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carboxamide; ethanoic acid

Systemtic Name: 3-[2-(3-azanylpropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carboxamide; ethanoic acid Openeye Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carboxamide CAS Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carboxamide IUPAC Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carboxamide Traditional Name: acetic acid; 1-[2-(3-aminopropyl)-1H-indol-3-yl]-1-(benzothiophen-3-yl)-2-keto-4-imidazolin-1-ium-4-carboxamide Formula: C25H26N5O4S+ MolecularWeight: 492.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C(=C(N2)CCCN)[N+]3(C=C(NC3=O)C(=O)N)C4=CSC5=CC=CC=C54

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C(=C(N2)CCCN)[N+]3(C=C(NC3=O)C(=O)N)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C23H21N5O2S.C2H4O2/c24-11-5-9-17-21(14-6-1-3-8-16(14)26-17)28(12-18(22(25)29)27-23(28)30)19-13-31-20-10-4-2-7-15(19)20;1-2(3)4/h1-4,6-8,10,12-13,26H,5,9,11,24H2,(H2-,25,27,29,30);1H3,(H,3,4)/p+1