1-(1-azoniabicyclo[2.2.2]octan-4-yl)-3-(4-methylphenyl)thiourea

Systemtic Name: 1-(1-azoniabicyclo[2.2.2]octan-4-yl)-3-(4-methylphenyl)thiourea Openeye Name: 1-(p-tolyl)-3-quinuclidin-1-ium-4-yl-thiourea CAS Name: 1-(1-azoniabicyclo[2.2.2]octan-4-yl)-3-(4-methylphenyl)thiourea IUPAC Name: 1-(1-azoniabicyclo[2.2.2]octan-4-yl)-3-(4-methylphenyl)thiourea Traditional Name: 1-(p-tolyl)-3-quinuclidin-1-ium-4-yl-thiourea Formula: C15H22N3S+ MolecularWeight: 276.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC23CC[NH+](CC2)CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC23CC[NH+](CC2)CC3

InChI

InChI=1S/C15H21N3S/c1-12-2-4-13(5-3-12)16-14(19)17-15-6-9-18(10-7-15)11-8-15/h2-5H,6-11H2,1H3,(H2,16,17,19)/p+1