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

Systemtic Name: 1-[(1R,5S)-8-[(4-methoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(3-methylphenyl)thiourea Openeye Name: 1-[(1R,5S)-8-[(4-methoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(m-tolyl)thiourea CAS Name: 1-[(1R,5S)-8-[(4-methoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[(1R,5S)-8-[(4-methoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(3-methylphenyl)thiourea Traditional Name: 1-(m-tolyl)-3-[(1R,5S)-8-p-anisyl-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2CC3CCC(C2)[NH+]3CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N3OS/c1-16-4-3-5-18(12-16)24-23(28)25-19-13-20-8-9-21(14-19)26(20)15-17-6-10-22(27-2)11-7-17/h3-7,10-12,19-21H,8-9,13-15H2,1-2H3,(H2,24,25,28)/p+1/t19?,20-,21+