3-(3-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-isopentyl-1-(1-pyridin-1-ium-4-ylethyl)thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-[1-(4-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-isoamyl-1-(1-pyridin-1-ium-4-ylethyl)thiourea Formula: C20H27ClN3S+ MolecularWeight: 376.96648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CCC(C)C)C(C)C2=CC=[NH+]C=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CCC(C)C)C(C)C2=CC=[NH+]C=C2

InChI

InChI=1S/C20H26ClN3S/c1-14(2)10-13-24(16(4)17-8-11-22-12-9-17)20(25)23-19-7-5-6-18(21)15(19)3/h5-9,11-12,14,16H,10,13H2,1-4H3,(H,23,25)/p+1