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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-p-anisyl-thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-25-20-9-7-17(8-10-20)15-22-21(26)23-19-11-13-24(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H2,22,23,26)/p+1