N-methyl-3-(2-oxidanylideneazepan-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-methyl-3-(2-oxidanylideneazepan-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-methyl-3-(2-oxoazepan-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-methyl-3-(2-oxo-1-azepanyl)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-3-(2-oxoazepan-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(2-ketoazepan-1-yl)-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCN3CCCCCC3=O

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCN3CCCCCC3=O

InChI

InChI=1S/C24H37N3O2/c1-25(23(28)15-19-27-18-7-3-6-14-24(27)29)22-13-9-17-26(20-22)16-8-12-21-10-4-2-5-11-21/h2,4-5,10-11,22H,3,6-9,12-20H2,1H3/p+1/t22-/m0/s1