1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-25-19-9-8-18(14-20(19)26-2)23-21(27)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H2,22,23,27)/p+1