[2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-3-oxidanylidene-1,2-dihydroinden-5-yl] N-butylcarbamate

Systemtic Name: [2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-3-oxidanylidene-1,2-dihydroinden-5-yl] N-butylcarbamate Openeye Name: [2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-3-oxo-indan-5-yl] N-butylcarbamate CAS Name: N-butylcarbamic acid [2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-3-oxo-1,2-dihydroinden-5-yl] ester IUPAC Name: [2-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-3-oxo-1,2-dihydroinden-5-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-3-keto-indan-5-yl] ester Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1=CC2=C(CC(C2=O)C3CC[N+](CC3)(C)CC4=CC=CC=C4)C=C1

Isomeric SMILES

CCCCNC(=O)OC1=CC2=C(CC(C2=O)C3CC[N+](CC3)(C)CC4=CC=CC=C4)C=C1

InChI

InChI=1S/C27H34N2O3/c1-3-4-14-28-27(31)32-23-11-10-22-17-24(26(30)25(22)18-23)21-12-15-29(2,16-13-21)19-20-8-6-5-7-9-20/h5-11,18,21,24H,3-4,12-17,19H2,1-2H3/p+1