methyl-[2-[(4-oxidanylcyclohexyl)carbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium

Systemtic Name: methyl-[2-[(4-oxidanylcyclohexyl)carbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium Openeye Name: [2-[(4-hydroxycyclohexyl)carbamoyl]indan-2-yl]-methyl-phenethyl-ammonium CAS Name: [2-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-1,3-dihydroinden-2-yl]-methyl-phenethylammonium IUPAC Name: [2-[(4-hydroxycyclohexyl)carbamoyl]-1,3-dihydroinden-2-yl]-methyl-phenethylazanium Traditional Name: [2-[(4-hydroxycyclohexyl)carbamoyl]indan-2-yl]-methyl-phenethyl-ammonium Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)NC4CCC(CC4)O

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)NC4CCC(CC4)O

InChI

InChI=1S/C25H32N2O2/c1-27(16-15-19-7-3-2-4-8-19)25(17-20-9-5-6-10-21(20)18-25)24(29)26-22-11-13-23(28)14-12-22/h2-10,22-23,28H,11-18H2,1H3,(H,26,29)/p+1