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

Systemtic Name: 1-[(3R)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3R)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3R)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3R)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H28BrN4O3+ MolecularWeight: 464.37602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Br)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)[C@@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C21H27BrN4O3/c22-15-4-6-16(7-5-15)26-18(27)14-17(19(26)28)24-12-8-21(9-13-24,20(23)29)25-10-2-1-3-11-25/h4-7,17H,1-3,8-14H2,(H2,23,29)/p+1/t17-/m1/s1