N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-oxidanylidene-4-phenyl-butanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-oxo-4-phenyl-butanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-2-oxo-4-phenylbutanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-oxo-4-phenylbutanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-keto-N-methyl-4-phenyl-butyramide Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2/c1-26(25(29)24(28)14-13-19-8-3-2-4-9-19)22-12-7-15-27(18-22)23-16-20-10-5-6-11-21(20)17-23/h2-6,8-11,22-23H,7,12-18H2,1H3/p+1/t22-/m0/s1