1-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)thiourea Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2CC3CCCC(C2)[NH+]3C4CC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C4CC4

InChI

InChI=1S/C19H27N3OS/c1-23-18-7-2-4-13(12-18)20-19(24)21-14-10-16-5-3-6-17(11-14)22(16)15-8-9-15/h2,4,7,12,14-17H,3,5-6,8-11H2,1H3,(H2,20,21,24)/p+1/t14?,16-,17+