[3-ethyl-1-(naphthalen-2-ylmethyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-ylidene]cyanamide

Systemtic Name: [3-ethyl-1-(naphthalen-2-ylmethyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-ylidene]cyanamide Openeye Name: [3-ethyl-1-(2-naphthylmethyl)-1-(4-piperidyl)benzimidazol-1-ium-2-ylidene]cyanamide CAS Name: [3-ethyl-1-(2-naphthalenylmethyl)-1-(4-piperidinyl)-2-benzimidazol-1-iumylidene]cyanamide IUPAC Name: [3-ethyl-1-(naphthalen-2-ylmethyl)-1-piperidin-4-ylbenzimidazol-1-ium-2-ylidene]cyanamide Traditional Name: [3-ethyl-1-(2-naphthylmethyl)-1-(4-piperidyl)benzimidazol-1-ium-2-ylidene]cyanamide Formula: C26H28N5+ MolecularWeight: 410.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](C1=NC#N)(CC3=CC4=CC=CC=C4C=C3)C5CCNCC5

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](C1=NC#N)(CC3=CC4=CC=CC=C4C=C3)C5CCNCC5

InChI

InChI=1S/C26H28N5/c1-2-30-24-9-5-6-10-25(24)31(26(30)29-19-27,23-13-15-28-16-14-23)18-20-11-12-21-7-3-4-8-22(21)17-20/h3-12,17,23,28H,2,13-16,18H2,1H3/q+1