2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H29N3O2/c26-21(19-15-23-20-8-4-3-7-18(19)20)16-24-13-9-17(10-14-24)22(27)25-11-5-1-2-6-12-25/h3-4,7-8,15,17,23H,1-2,5-6,9-14,16H2/p+1