4-(4-methoxyphenyl)-4-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide

Systemtic Name: 4-(4-methoxyphenyl)-4-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Openeye Name: 4-(4-methoxyphenyl)-4-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide CAS Name: 4-(4-methoxyphenyl)-4-oxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]butanamide IUPAC Name: 4-(4-methoxyphenyl)-4-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Traditional Name: 4-keto-4-(4-methoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butyramide Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-29-22-11-9-20(10-12-22)23(27)13-14-24(28)25-21-8-5-16-26(18-21)17-15-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H,25,28)/p+1/t21-/m0/s1