1-[(1R,5S)-8-[(4-fluorophenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(1R,5S)-8-[(4-fluorophenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(1R,5S)-8-[(4-fluorophenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(o-tolyl)thiourea CAS Name: 1-[(1R,5S)-8-[(4-fluorophenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(1R,5S)-8-[(4-fluorophenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(1R,5S)-8-(4-fluorobenzyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(o-tolyl)thiourea Formula: C22H27FN3S+ MolecularWeight: 384.533283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2CC3CCC(C2)[NH+]3CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3S/c1-15-4-2-3-5-21(15)25-22(27)24-18-12-19-10-11-20(13-18)26(19)14-16-6-8-17(23)9-7-16/h2-9,18-20H,10-14H2,1H3,(H2,24,25,27)/p+1/t18?,19-,20+