phenyl-[2-(piperidin-1-ium-4-ylmethyl)-3H-benzimidazol-5-yl]methanone

Systemtic Name: phenyl-[2-(piperidin-1-ium-4-ylmethyl)-3H-benzimidazol-5-yl]methanone Openeye Name: phenyl-[2-(piperidin-1-ium-4-ylmethyl)-3H-benzimidazol-5-yl]methanone CAS Name: phenyl-[2-(4-piperidin-1-iumylmethyl)-3H-benzimidazol-5-yl]methanone IUPAC Name: phenyl-[2-(piperidin-1-ium-4-ylmethyl)-3H-benzimidazol-5-yl]methanone Traditional Name: phenyl-[2-(piperidin-1-ium-4-ylmethyl)-3H-benzimidazol-5-yl]methanone Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CC2=NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH2+]CCC1CC2=NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O/c24-20(15-4-2-1-3-5-15)16-6-7-17-18(13-16)23-19(22-17)12-14-8-10-21-11-9-14/h1-7,13-14,21H,8-12H2,(H,22,23)/p+1