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

Systemtic Name: ethyl 4-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]amino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCC[NH+](C2)CC3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3)C

InChI

InChI=1S/C22H35N3O3/c1-4-28-22(27)20-15(2)19(16(3)23-20)21(26)24-18-11-8-12-25(14-18)13-17-9-6-5-7-10-17/h17-18,23H,4-14H2,1-3H3,(H,24,26)/p+1/t18-/m0/s1