methyl 2,4-dimethyl-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H30N3O4+ MolecularWeight: 352.4485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2C[NH+](CCO2)CC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC[C@H]2C[NH+](CCO2)CC(C)C

InChI

InChI=1S/C18H29N3O4/c1-11(2)9-21-6-7-25-14(10-21)8-19-17(22)16-12(3)15(13(4)20-16)18(23)24-5/h11,14,20H,6-10H2,1-5H3,(H,19,22)/p+1/t14-/m0/s1