methyl (2S)-2-phenyl-2-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethanoate Openeye Name: methyl (2S)-2-[[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[oxo-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]methyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-phenyl-2-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]acetate Traditional Name: (2S)-2-[[1-(4-isopropylbenzyl)piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C25H33N2O3+ MolecularWeight: 409.54112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H32N2O3/c1-18(2)20-11-9-19(10-12-20)17-27-15-13-22(14-16-27)24(28)26-23(25(29)30-3)21-7-5-4-6-8-21/h4-12,18,22-23H,13-17H2,1-3H3,(H,26,28)/p+1/t23-/m0/s1