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

Systemtic Name: [3-ethyl-1-[(4-phenylmethoxyphenyl)methyl]-1-piperidin-4-yl-benzimidazol-1-ium-2-ylidene]cyanamide Openeye Name: [1-[(4-benzyloxyphenyl)methyl]-3-ethyl-1-(4-piperidyl)benzimidazol-1-ium-2-ylidene]cyanamide CAS Name: [3-ethyl-1-[(4-phenylmethoxyphenyl)methyl]-1-(4-piperidinyl)-2-benzimidazol-1-iumylidene]cyanamide IUPAC Name: [3-ethyl-1-[(4-phenylmethoxyphenyl)methyl]-1-piperidin-4-ylbenzimidazol-1-ium-2-ylidene]cyanamide Traditional Name: [1-(4-benzoxybenzyl)-3-ethyl-1-(4-piperidyl)benzimidazol-1-ium-2-ylidene]cyanamide Formula: C29H32N5O+ MolecularWeight: 466.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](C1=NC#N)(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](C1=NC#N)(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C29H32N5O/c1-2-33-27-10-6-7-11-28(27)34(29(33)32-22-30,25-16-18-31-19-17-25)20-23-12-14-26(15-13-23)35-21-24-8-4-3-5-9-24/h3-15,25,31H,2,16-21H2,1H3/q+1