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

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C18H30N3S2+ MolecularWeight: 352.5809

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCCC2

Isomeric SMILES

CSCCCNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCCC2

InChI

InChI=1S/C18H29N3S2/c1-23-13-5-10-19-18(22)20-14-16-6-8-17(9-7-16)15-21-11-3-2-4-12-21/h6-9H,2-5,10-15H2,1H3,(H2,19,20,22)/p+1