methyl 1-phenyl-4-(propanoylamino)-1-(2-pyrrol-1-ylethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-phenyl-4-(propanoylamino)-1-(2-pyrrol-1-ylethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-phenyl-4-(propanoylamino)-1-(2-pyrrol-1-ylethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(1-oxopropylamino)-1-phenyl-1-[2-(1-pyrrolyl)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-4-(propanoylamino)-1-(2-pyrrol-1-ylethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-phenyl-4-propionamido-1-(2-pyrrol-1-ylethyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(CC[N+](CC1)(CCN2C=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)NC1(CC[N+](CC1)(CCN2C=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H29N3O3/c1-3-20(26)23-22(21(27)28-2)11-16-25(17-12-22,19-9-5-4-6-10-19)18-15-24-13-7-8-14-24/h4-10,13-14H,3,11-12,15-18H2,1-2H3/p+1