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

Systemtic Name: 1-(2-ethylphenyl)-3-[(1S,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Openeye Name: 1-(2-ethylphenyl)-3-[(1S,5R)-9-isobutyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea CAS Name: 1-(2-ethylphenyl)-3-[(1S,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea IUPAC Name: 1-(2-ethylphenyl)-3-[(1S,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Traditional Name: 1-(2-ethylphenyl)-3-[(1S,5R)-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:

CCC1=CC=CC=C1NC(=S)NC2CC3CCCC(C2)[NH+]3CC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2C[C@H]3CCC[C@@H](C2)[NH+]3CC(C)C

InChI

InChI=1S/C21H33N3S/c1-4-16-8-5-6-11-20(16)23-21(25)22-17-12-18-9-7-10-19(13-17)24(18)14-15(2)3/h5-6,8,11,15,17-19H,4,7,9-10,12-14H2,1-3H3,(H2,22,23,25)/p+1/t17?,18-,19+