2-[5-azanyl-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[5-azanyl-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-4-keto-3-(6-methyl-1H-benzimidazol-2-yl)-2-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1CC(=O)C(=C1N)C2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN1CC(=O)C(=C1N)C2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C18H25N5O/c1-4-22(5-2)8-9-23-11-15(24)16(17(23)19)18-20-13-7-6-12(3)10-14(13)21-18/h6-7,10H,4-5,8-9,11,19H2,1-3H3,(H,20,21)/p+1