1-(3-methoxyphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C21H27N3OS/c1-25-20-11-7-10-19(14-20)23-21(26)22-15-17-8-3-4-9-18(17)16-24-12-5-2-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H2,22,23,26)/p+1