1-(2,5-dimethylphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-8-(2-furylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-8-(2-furanylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(1R,5S)-8-(2-furfuryl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2CC3CCC(C2)[NH+]3CC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC4=CC=CO4

InChI

InChI=1S/C21H27N3OS/c1-14-5-6-15(2)20(10-14)23-21(26)22-16-11-17-7-8-18(12-16)24(17)13-19-4-3-9-25-19/h3-6,9-10,16-18H,7-8,11-13H2,1-2H3,(H2,22,23,26)/p+1/t16?,17-,18+