1-(2-methoxyphenyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-methoxyphenyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-3-(2-methoxyphenyl)thiourea CAS Name: 1-(2-methoxyphenyl)-3-[[oxo-[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]amino]thiourea IUPAC Name: 1-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-3-(2-methoxyphenyl)thiourea Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-27-19-10-6-5-9-18(19)22-21(28)24-23-20(26)17-11-13-25(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,23,26)(H2,22,24,28)/p+1