2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H33N3O2/c27-22(24-21-9-8-18-6-5-7-20(18)16-21)17-25-14-10-19(11-15-25)23(28)26-12-3-1-2-4-13-26/h8-9,16,19H,1-7,10-15,17H2,(H,24,27)/p+1