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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]thiourea Openeye Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]thiourea IUPAC Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(3,4-dimethoxyphenyl)thiourea Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NN=C2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NN=C2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N4O2S/c1-26-19-9-8-18(14-20(19)27-2)22-21(28)24-23-17-10-12-25(13-11-17)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H2,22,24,28)/p+1