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

Systemtic Name: 1-(4-ethylphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[(1R,5S)-8-(2-furylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[(1R,5S)-8-(2-furanylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[(1R,5S)-8-(furan-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Traditional Name: 1-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)NC(=S)NC2CC3CCC(C2)[NH+]3CC4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC4=CC=CO4

InChI

InChI=1S/C21H27N3OS/c1-2-15-5-7-16(8-6-15)22-21(26)23-17-12-18-9-10-19(13-17)24(18)14-20-4-3-11-25-20/h3-8,11,17-19H,2,9-10,12-14H2,1H3,(H2,22,23,26)/p+1/t17?,18-,19+