ethyl 1-tert-butyl-5-oxidanylidene-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-2H-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-tert-butyl-5-oxidanylidene-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-2H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-tert-butyl-5-oxo-2H-pyrrole-3-carboxylate CAS Name: 1-tert-butyl-5-oxo-4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-2H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-tert-butyl-5-oxo-2H-pyrrole-3-carboxylate Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-tert-butyl-5-keto-3-pyrroline-3-carboxylic acid ethyl ester Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(C1)C(C)(C)C)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(C1)C(C)(C)C)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O3/c1-5-29-22(28)19-16-26(23(2,3)4)21(27)20(19)24-18-11-13-25(14-12-18)15-17-9-7-6-8-10-17/h6-10,18,24H,5,11-16H2,1-4H3/p+1