5-cyclohexyl-1-(phenylmethyl)-1-(2-piperidin-4-ylethyl)indol-1-ium-2,3-dione

Systemtic Name: 5-cyclohexyl-1-(phenylmethyl)-1-(2-piperidin-4-ylethyl)indol-1-ium-2,3-dione Openeye Name: 1-benzyl-5-cyclohexyl-1-[2-(4-piperidyl)ethyl]indolin-1-ium-2,3-dione CAS Name: 5-cyclohexyl-1-(phenylmethyl)-1-[2-(4-piperidinyl)ethyl]indol-1-ium-2,3-dione IUPAC Name: 1-benzyl-5-cyclohexyl-1-(2-piperidin-4-ylethyl)indol-1-ium-2,3-dione Traditional Name: 1-benzyl-5-cyclohexyl-1-[2-(4-piperidyl)ethyl]indolin-1-ium-2,3-quinone Formula: C28H35N2O2+ MolecularWeight: 431.5897

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)[N+](C(=O)C3=O)(CCC4CCNCC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)[N+](C(=O)C3=O)(CCC4CCNCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H35N2O2/c31-27-25-19-24(23-9-5-2-6-10-23)11-12-26(25)30(28(27)32,20-22-7-3-1-4-8-22)18-15-21-13-16-29-17-14-21/h1,3-4,7-8,11-12,19,21,23,29H,2,5-6,9-10,13-18,20H2/q+1