1-(4-methoxyphenyl)-3-[(1R,5S)-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[(1R,5S)-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Openeye Name: 1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-(4-methoxyphenyl)-3-[(1R,5S)-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea IUPAC Name: 1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(4-methoxyphenyl)thiourea Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2CC3CCC(C2)[NH+]3CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3OS/c1-26-21-11-7-17(8-12-21)23-22(27)24-18-13-19-9-10-20(14-18)25(19)15-16-5-3-2-4-6-16/h2-8,11-12,18-20H,9-10,13-15H2,1H3,(H2,23,24,27)/p+1/t18?,19-,20+