1-(1-adamantyl)-2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanone Formula: C26H38N4O+2 MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H36N4O/c27-25-29(11-10-28-8-4-1-5-9-28)22-6-2-3-7-23(22)30(25)18-24(31)26-15-19-12-20(16-26)14-21(13-19)17-26/h2-3,6-7,19-21,27H,1,4-5,8-18H2/p+2