1-(4-ethylphenyl)-3-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]thiourea

Systemtic Name: 1-(4-ethylphenyl)-3-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]thiourea Formula: C23H30N5S+ MolecularWeight: 408.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

InChI

InChI=1S/C23H29N5S/c1-2-18-10-12-19(13-11-18)24-23(29)26-22-25-20-8-4-5-9-21(20)28(22)17-16-27-14-6-3-7-15-27/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H2,24,25,26,29)/p+1