[1-cyclohexyl-2-[2-methoxycarbonyl-4-(3-phenylmethoxypropoxy)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [1-cyclohexyl-2-[2-methoxycarbonyl-4-(3-phenylmethoxypropoxy)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[4-(3-benzyloxypropoxy)-2-methoxycarbonyl-pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]ammonium CAS Name: [1-cyclohexyl-2-[2-methoxycarbonyl-4-(3-phenylmethoxypropoxy)-1-pyrrolidinyl]-2-oxoethyl]ammonium IUPAC Name: [1-cyclohexyl-2-[2-methoxycarbonyl-4-(3-phenylmethoxypropoxy)pyrrolidin-1-yl]-2-oxoethyl]azanium Traditional Name: [2-[4-(3-benzoxypropoxy)-2-carbomethoxy-pyrrolidino]-1-cyclohexyl-2-keto-ethyl]ammonium Formula: C24H37N2O5+ MolecularWeight: 433.56098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)[NH3+])OCCCOCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)[NH3+])OCCCOCC3=CC=CC=C3

InChI

InChI=1S/C24H36N2O5/c1-29-24(28)21-15-20(31-14-8-13-30-17-18-9-4-2-5-10-18)16-26(21)23(27)22(25)19-11-6-3-7-12-19/h2,4-5,9-10,19-22H,3,6-8,11-17,25H2,1H3/p+1