3-(3-chlorophenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Openeye Name: 3-(3-chlorophenyl)-1-isopentyl-1-(1-pyridin-1-ium-2-ylethyl)thiourea CAS Name: 3-(3-chlorophenyl)-1-(3-methylbutyl)-1-[1-(2-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(3-chlorophenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Traditional Name: 3-(3-chlorophenyl)-1-isoamyl-1-(1-pyridin-1-ium-2-ylethyl)thiourea Formula: C19H25ClN3S+ MolecularWeight: 362.9399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C)C1=CC=CC=[NH+]1)C(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)CCN(C(C)C1=CC=CC=[NH+]1)C(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H24ClN3S/c1-14(2)10-12-23(15(3)18-9-4-5-11-21-18)19(24)22-17-8-6-7-16(20)13-17/h4-9,11,13-15H,10,12H2,1-3H3,(H,22,24)/p+1