1-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl]piperidin-1-ium-4-carboxamide Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H29N3O3/c1-12-9-16(14(3)21(12)13(2)11-24-4)17(22)10-20-7-5-15(6-8-20)18(19)23/h9,13,15H,5-8,10-11H2,1-4H3,(H2,19,23)/p+1/t13-/m1/s1