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

Systemtic Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C27H42N4O4+2 MolecularWeight: 486.64678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C27H40N4O4/c1-2-3-4-8-19-35-22-11-9-21(10-12-22)31-24(32)20-23(25(31)33)29-17-13-27(14-18-29,26(28)34)30-15-6-5-7-16-30/h9-12,23H,2-8,13-20H2,1H3,(H2,28,34)/p+2/t23-/m1/s1