1-[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H27N3O2/c1-14-13-19(15(2)24(14)18-7-5-4-6-8-18)20(25)16(3)23-11-9-17(10-12-23)21(22)26/h4-8,13,16-17H,9-12H2,1-3H3,(H2,22,26)/p+1/t16-/m0/s1