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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-p-phenetyl-thiourea Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCC(CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCC(CC2)C

InChI

InChI=1S/C18H29N3OS/c1-3-22-17-7-5-16(6-8-17)20-18(23)19-11-4-12-21-13-9-15(2)10-14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H2,19,20,23)/p+1