6-ethoxy-4-[[4-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethoxy-4-[[4-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[2-[(2R)-2-ethyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[2-[(2R)-2-ethyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-[2-[(2R)-2-ethylpiperidino]-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]coumarin Formula: C25H36N3O4+ MolecularWeight: 442.57104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OCC

Isomeric SMILES

CC[C@@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OCC

InChI

InChI=1S/C25H35N3O4/c1-3-20-7-5-6-10-28(20)24(29)18-27-13-11-26(12-14-27)17-19-15-25(30)32-23-9-8-21(31-4-2)16-22(19)23/h8-9,15-16,20H,3-7,10-14,17-18H2,1-2H3/p+1/t20-/m1/s1