methyl 5-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(pyridin-3-ylmethyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(pyridin-3-ylmethyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl-(3-pyridylmethyl)amino]-5-oxo-pentanoate CAS Name: 5-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-(3-pyridinylmethyl)amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl-(3-pyridylmethyl)amino]valeric acid methyl ester Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CCCC(=O)OC

InChI

InChI=1S/C26H35N3O3/c1-21-7-3-4-9-24(21)20-28-15-12-22(13-16-28)18-29(19-23-8-6-14-27-17-23)25(30)10-5-11-26(31)32-2/h3-4,6-9,14,17,22H,5,10-13,15-16,18-20H2,1-2H3/p+1