1-(2-isothiocyanatoethyl)-2-methyl-1-(phenylmethyl)-4-piperidin-4-yl-benzimidazol-1-ium

Systemtic Name: 1-(2-isothiocyanatoethyl)-2-methyl-1-(phenylmethyl)-4-piperidin-4-yl-benzimidazol-1-ium Openeye Name: 1-benzyl-1-(2-isothiocyanatoethyl)-2-methyl-4-(4-piperidyl)benzimidazol-1-ium CAS Name: 1-(2-isothiocyanatoethyl)-2-methyl-1-(phenylmethyl)-4-(4-piperidinyl)benzimidazol-1-ium IUPAC Name: 1-benzyl-1-(2-isothiocyanatoethyl)-2-methyl-4-piperidin-4-ylbenzimidazol-1-ium Traditional Name: 1-benzyl-1-(2-isothiocyanatoethyl)-2-methyl-4-(4-piperidyl)benzimidazol-1-ium Formula: C23H27N4S+ MolecularWeight: 391.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2[N+]1(CCN=C=S)CC3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CC1=NC2=C(C=CC=C2[N+]1(CCN=C=S)CC3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C23H27N4S/c1-18-26-23-21(20-10-12-24-13-11-20)8-5-9-22(23)27(18,15-14-25-17-28)16-19-6-3-2-4-7-19/h2-9,20,24H,10-16H2,1H3/q+1