N-[1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O2/c1-4-25-16(2)14-20(17(25)3)21(26)15-24-12-10-19(11-13-24)23-22(27)18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,23,27)/p+1