1-(4-ethoxyphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(1R,5S)-8-(2-furylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(1R,5S)-8-(2-furanylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Traditional Name: 1-[(1R,5S)-8-(2-furfuryl)-8-azoniabicyclo[3.2.1]octan-3-yl]-3-p-phenetyl-thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2CC3CCC(C2)[NH+]3CC4=CC=CO4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC4=CC=CO4

InChI

InChI=1S/C21H27N3O2S/c1-2-25-19-9-5-15(6-10-19)22-21(27)23-16-12-17-7-8-18(13-16)24(17)14-20-4-3-11-26-20/h3-6,9-11,16-18H,2,7-8,12-14H2,1H3,(H2,22,23,27)/p+1/t16?,17-,18+