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

Systemtic Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C22H32N4O4+2 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C22H30N4O4/c1-30-18-8-4-3-7-16(18)26-19(27)15-17(20(26)28)24-13-9-22(10-14-24,21(23)29)25-11-5-2-6-12-25/h3-4,7-8,17H,2,5-6,9-15H2,1H3,(H2,23,29)/p+2/t17-/m0/s1