1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-propyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-propyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-propyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-propylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-propylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-propyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1COC2=CC=CC=C2O1)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H29N3O4/c1-2-9-23(12-16-14-26-17-5-3-4-6-18(17)27-16)19(24)13-22-10-7-15(8-11-22)20(21)25/h3-6,15-16H,2,7-14H2,1H3,(H2,21,25)/p+1/t16-/m0/s1