5-cyclohexyl-1-(phenylmethyl)-1-(2-piperidin-4-ylethyl)-3H-indol-1-ium-2-one

Systemtic Name: 5-cyclohexyl-1-(phenylmethyl)-1-(2-piperidin-4-ylethyl)-3H-indol-1-ium-2-one Openeye Name: 1-benzyl-5-cyclohexyl-1-[2-(4-piperidyl)ethyl]indolin-1-ium-2-one CAS Name: 5-cyclohexyl-1-(phenylmethyl)-1-[2-(4-piperidinyl)ethyl]-3H-indol-1-ium-2-one IUPAC Name: 1-benzyl-5-cyclohexyl-1-(2-piperidin-4-ylethyl)-3H-indol-1-ium-2-one Traditional Name: 1-benzyl-5-cyclohexyl-1-[2-(4-piperidyl)ethyl]indolin-1-ium-2-one Formula: C28H37N2O+ MolecularWeight: 417.60618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N2O/c31-28-20-26-19-25(24-9-5-2-6-10-24)11-12-27(26)30(28,21-23-7-3-1-4-8-23)18-15-22-13-16-29-17-14-22/h1,3-4,7-8,11-12,19,22,24,29H,2,5-6,9-10,13-18,20-21H2/q+1