1-[(3S)-1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S)-1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(m-tolyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-(m-tolyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C17H21N3O3/c1-11-3-2-4-13(9-11)20-15(21)10-14(17(20)23)19-7-5-12(6-8-19)16(18)22/h2-4,9,12,14H,5-8,10H2,1H3,(H2,18,22)/p+1/t14-/m0/s1