1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-[2-(phenylthio)ethyl]thiourea Formula: C18H30N3S2+ MolecularWeight: 352.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C18H29N3S2/c1-16-8-13-21(14-9-16)12-5-10-19-18(22)20-11-15-23-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H2,19,20,22)/p+1