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

Systemtic Name: 1-[(3S)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C23H34N4O4+2 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C23H32N4O4/c1-2-31-18-8-6-17(7-9-18)27-20(28)16-19(21(27)29)25-14-10-23(11-15-25,22(24)30)26-12-4-3-5-13-26/h6-9,19H,2-5,10-16H2,1H3,(H2,24,30)/p+2/t19-/m0/s1