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

Systemtic Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-m-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=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

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

InChI

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