4-ethanoyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-ethanoyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 4-acetyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 4-acetyl-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-acetyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 4-acetyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2/c1-18(26)20-10-12-21(13-11-20)23(27)24(2)22-9-6-15-25(17-22)16-14-19-7-4-3-5-8-19/h3-5,7-8,10-13,22H,6,9,14-17H2,1-2H3/p+1/t22-/m0/s1