4-[ethanoyl(phenyl)amino]-1-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: 4-[ethanoyl(phenyl)amino]-1-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: 4-(N-acetylanilino)-1-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 4-(N-acetylanilino)-1-phenethyl-4-piperidin-1-iumcarboxylate IUPAC Name: 4-(N-acetylanilino)-1-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 4-(N-acetylanilino)-1-phenethyl-piperidin-1-ium-4-carboxylate Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H26N2O3/c1-18(25)24(20-10-6-3-7-11-20)22(21(26)27)13-16-23(17-14-22)15-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,26,27)