(1-cyclohexyl-3-ethyl-4-piperidin-4-yl-1-propyl-benzimidazol-1-ium-2-ylidene)cyanamide

Systemtic Name: (1-cyclohexyl-3-ethyl-4-piperidin-4-yl-1-propyl-benzimidazol-1-ium-2-ylidene)cyanamide Openeye Name: [1-cyclohexyl-3-ethyl-4-(4-piperidyl)-1-propyl-benzimidazol-1-ium-2-ylidene]cyanamide CAS Name: [1-cyclohexyl-3-ethyl-4-(4-piperidinyl)-1-propyl-2-benzimidazol-1-iumylidene]cyanamide IUPAC Name: (1-cyclohexyl-3-ethyl-4-piperidin-4-yl-1-propylbenzimidazol-1-ium-2-ylidene)cyanamide Traditional Name: [1-cyclohexyl-3-ethyl-4-(4-piperidyl)-1-propyl-benzimidazol-1-ium-2-ylidene]cyanamide Formula: C24H36N5+ MolecularWeight: 394.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=CC=CC(=C2N(C1=NC#N)CC)C3CCNCC3)C4CCCCC4

Isomeric SMILES

CCC[N+]1(C2=CC=CC(=C2N(C1=NC#N)CC)C3CCNCC3)C4CCCCC4

InChI

InChI=1S/C24H36N5/c1-3-17-29(20-9-6-5-7-10-20)22-12-8-11-21(19-13-15-26-16-14-19)23(22)28(4-2)24(29)27-18-25/h8,11-12,19-20,26H,3-7,9-10,13-17H2,1-2H3/q+1