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

Systemtic Name: 1-(3-ethylphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 1-(3-ethylphenyl)-3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NCCC[NH+]2CCC(CC2)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NCCC[NH+]2CCC(CC2)C

InChI

InChI=1S/C18H29N3S/c1-3-16-6-4-7-17(14-16)20-18(22)19-10-5-11-21-12-8-15(2)9-13-21/h4,6-7,14-15H,3,5,8-13H2,1-2H3,(H2,19,20,22)/p+1