3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one Openeye Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one CAS Name: 3-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H33N3O2/c27-22(26-18-11-19-7-3-4-8-21(19)26)12-17-24-15-9-20(10-16-24)23(28)25-13-5-1-2-6-14-25/h3-4,7-8,20H,1-2,5-6,9-18H2/p+1