ethyl 3,5-dimethyl-4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]carbamoyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C24H33N3O3/c1-4-30-24(29)22-17(2)21(18(3)25-22)23(28)26-20-13-9-15-27(16-20)14-8-12-19-10-6-5-7-11-19/h5-7,10-11,20,25H,4,8-9,12-16H2,1-3H3,(H,26,28)/p+1/t20-/m0/s1