methyl (3R,4S)-3-methyl-1-phenethyl-4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl (3R,4S)-3-methyl-1-phenethyl-4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate Openeye Name: methyl (3R,4S)-3-methyl-1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate CAS Name: (3R,4S)-3-methyl-4-[N-(1-oxopropyl)anilino]-1-phenethyl-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-methyl-1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate Traditional Name: (3R,4S)-3-methyl-1-phenethyl-4-(N-propionylanilino)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2C)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/p+1/t20-,25+/m1/s1