N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(2-oxidanylideneazepan-1-yl)propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(2-oxidanylideneazepan-1-yl)propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-3-(2-oxo-1-azepanyl)propanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-(2-ketoazepan-1-yl)-N-methyl-propionamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCN4CCCCCC4=O

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCN4CCCCCC4=O

InChI

InChI=1S/C24H35N3O2/c1-25(23(28)12-15-26-13-6-2-3-11-24(26)29)21-10-7-14-27(18-21)22-16-19-8-4-5-9-20(19)17-22/h4-5,8-9,21-22H,2-3,6-7,10-18H2,1H3/p+1/t21-/m0/s1