4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-indan-5-yl-4-oxo-butanamide CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-indan-5-yl-4-keto-butyramide Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2/c28-24(22-10-9-20-7-4-8-21(20)17-22)11-12-25(29)26-23-13-15-27(16-14-23)18-19-5-2-1-3-6-19/h1-3,5-6,9-10,17,23H,4,7-8,11-16,18H2,(H,26,29)/p+1