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

Systemtic Name: 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C23H34N4O3+2 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)C

InChI

InChI=1S/C23H32N4O3/c1-16-6-7-18(17(2)14-16)27-20(28)15-19(21(27)29)25-12-8-23(9-13-25,22(24)30)26-10-4-3-5-11-26/h6-7,14,19H,3-5,8-13,15H2,1-2H3,(H2,24,30)/p+2/t19-/m0/s1