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

Systemtic Name: methyl 2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]amino]acetate CAS Name: 2-[[oxo-[1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]amino]acetate Traditional Name: 2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotoyl]amino]acetic acid methyl ester Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O3/c1-29-22(27)18-24-23(28)20-9-16-26(17-10-20)21-11-14-25(15-12-21)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,24,28)/p+1