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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)OC1

InChI

InChI=1S/C26H31N3O5/c30-22(19-7-9-23-24(17-19)34-16-4-15-33-23)8-10-25(31)27-21-11-13-29(14-12-21)18-26(32)28-20-5-2-1-3-6-20/h1-3,5-7,9,17,21H,4,8,10-16,18H2,(H,27,31)(H,28,32)/p+1