N-[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C26H36N7O+ MolecularWeight: 462.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC=N6

Isomeric SMILES

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC=N6

InChI

InChI=1S/C26H35N7O/c1-3-31(4-2)9-10-32-22-8-6-5-7-21(22)29-24(32)30-23(34)25-12-19-11-20(13-25)15-26(14-19,16-25)33-18-27-17-28-33/h5-8,17-20H,3-4,9-16H2,1-2H3,(H,29,30,34)/p+1