4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]butyramide Formula: C27H35N2O5+ MolecularWeight: 467.5772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCCCC4

InChI

InChI=1S/C27H34N2O5/c1-32-22-9-6-20(7-10-22)23(29-14-3-2-4-15-29)19-28-27(31)13-11-24(30)21-8-12-25-26(18-21)34-17-5-16-33-25/h6-10,12,18,23H,2-5,11,13-17,19H2,1H3,(H,28,31)/p+1/t23-/m0/s1