1-(2,6-dimethylphenyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]thiourea Openeye Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]thiourea IUPAC Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(2,6-dimethylphenyl)thiourea Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NN=C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NN=C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4S/c1-16-7-6-8-17(2)20(16)22-21(26)24-23-19-11-13-25(14-12-19)15-18-9-4-3-5-10-18/h3-10H,11-15H2,1-2H3,(H2,22,24,26)/p+1