[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]azanium

Systemtic Name: [(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]azanium Openeye Name: [(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]ammonium CAS Name: [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-[2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)ethyl]ammonium IUPAC Name: [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]azanium Traditional Name: [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]ammonium Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)[NH2+]CC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)[NH2+]CC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C24H30N2O4/c1-16-7-9-20(28-3)19(13-16)17(2)25-15-23(27)26-18-8-10-21-22(14-18)30-24(29-21)11-5-4-6-12-24/h7-10,13-14,17,25H,4-6,11-12,15H2,1-3H3,(H,26,27)/p+1/t17-/m0/s1