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

Systemtic Name: 1-[(3S)-1-(3,4-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1-(3,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-11-3-4-14(9-12(11)2)21-16(22)10-15(18(21)24)20-7-5-13(6-8-20)17(19)23/h3-4,9,13,15H,5-8,10H2,1-2H3,(H2,19,23)/p+1/t15-/m0/s1