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

Systemtic Name: 3-(2-ethylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Openeye Name: 3-(2-ethylphenyl)-1-isopentyl-1-(1-pyridin-1-ium-2-ylethyl)thiourea CAS Name: 3-(2-ethylphenyl)-1-(3-methylbutyl)-1-[1-(2-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(2-ethylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-isoamyl-1-(1-pyridin-1-ium-2-ylethyl)thiourea Formula: C21H30N3S+ MolecularWeight: 356.548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCC(C)C)C(C)C2=CC=CC=[NH+]2

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCC(C)C)C(C)C2=CC=CC=[NH+]2

InChI

InChI=1S/C21H29N3S/c1-5-18-10-6-7-12-20(18)23-21(25)24(15-13-16(2)3)17(4)19-11-8-9-14-22-19/h6-12,14,16-17H,5,13,15H2,1-4H3,(H,23,25)/p+1