[2-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C17H29N3O3+2 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C[NH+](C)C2CC[NH+](CC2)C)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C[NH+](C)C2CC[NH+](CC2)C)C)C(=O)OC

InChI

InChI=1S/C17H27N3O3/c1-11-15(12(2)18-16(11)17(22)23-5)14(21)10-20(4)13-6-8-19(3)9-7-13/h13,18H,6-10H2,1-5H3/p+2