methyl (2R)-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotoyl]amino]propionic acid methyl ester Formula: C24H38N3O3+ MolecularWeight: 416.57682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H37N3O3/c1-19(24(29)30-2)25-23(28)21-10-17-27(18-11-21)22-12-15-26(16-13-22)14-6-9-20-7-4-3-5-8-20/h3-5,7-8,19,21-22H,6,9-18H2,1-2H3,(H,25,28)/p+1/t19-/m1/s1