1-(2-ethoxyphenyl)-3-[(1S,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea

Systemtic Name: 1-(2-ethoxyphenyl)-3-[(1S,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Openeye Name: 1-(2-ethoxyphenyl)-3-[(1S,5R)-9-isobutyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea CAS Name: 1-(2-ethoxyphenyl)-3-[(1S,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea IUPAC Name: 1-(2-ethoxyphenyl)-3-[(1S,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Traditional Name: 1-[(1S,5R)-9-isobutyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-o-phenetyl-thiourea Formula: C21H34N3OS+ MolecularWeight: 376.57916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2CC3CCCC(C2)[NH+]3CC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2C[C@H]3CCC[C@@H](C2)[NH+]3CC(C)C

InChI

InChI=1S/C21H33N3OS/c1-4-25-20-11-6-5-10-19(20)23-21(26)22-16-12-17-8-7-9-18(13-16)24(17)14-15(2)3/h5-6,10-11,15-18H,4,7-9,12-14H2,1-3H3,(H2,22,23,26)/p+1/t16?,17-,18+