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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-9-isobutyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-9-isobutyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Formula: C21H34N3S+ MolecularWeight: 360.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2CC3CCCC(C2)[NH+]3CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2C[C@H]3CCC[C@@H](C2)[NH+]3CC(C)C

InChI

InChI=1S/C21H33N3S/c1-14(2)13-24-18-6-5-7-19(24)12-17(11-18)22-21(25)23-20-10-15(3)8-9-16(20)4/h8-10,14,17-19H,5-7,11-13H2,1-4H3,(H2,22,23,25)/p+1/t17?,18-,19+