methyl 3-[(3S,4R)-1-(1H-indol-3-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-(1H-indol-3-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-(1H-indol-3-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-(1H-indol-3-ylmethyl)-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-(1H-indol-3-ylmethyl)-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(1H-indol-3-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C22H33N3O3+2 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H31N3O3/c1-27-22(26)7-6-17-15-24(9-8-21(17)25-10-12-28-13-11-25)16-18-14-23-20-5-3-2-4-19(18)20/h2-5,14,17,21,23H,6-13,15-16H2,1H3/p+2/t17-,21+/m0/s1