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

Systemtic Name: 4-(4-methoxyphenyl)-N-methyl-4-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Openeye Name: 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide CAS Name: 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]butanamide IUPAC Name: 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Traditional Name: 4-keto-4-(4-methoxyphenyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butyramide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H32N2O3/c1-26(25(29)15-14-24(28)21-10-12-23(30-2)13-11-21)22-9-6-17-27(19-22)18-16-20-7-4-3-5-8-20/h3-5,7-8,10-13,22H,6,9,14-19H2,1-2H3/p+1/t22-/m0/s1