1-(4-methoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H27N3OS/c1-25-20-11-9-19(10-12-20)23-21(26)22-15-17-5-7-18(8-6-17)16-24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3,(H2,22,23,26)/p+1