methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]-5-keto-valeric acid methyl ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1CCC[NH+](C1)C2CC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)CCCC(=O)N[C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2

InChI

InChI=1S/C20H28N2O3/c1-25-20(24)10-4-9-19(23)21-17-8-5-11-22(14-17)18-12-15-6-2-3-7-16(15)13-18/h2-3,6-7,17-18H,4-5,8-14H2,1H3,(H,21,23)/p+1/t17-/m0/s1