6-ethoxy-4-[[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethoxy-4-[[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-[2-keto-2-[(3S)-3-methylpiperidino]ethyl]piperazin-4-ium-1-yl]methyl]coumarin Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N4CCCC(C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N4CCC[C@@H](C4)C

InChI

InChI=1S/C24H33N3O4/c1-3-30-20-6-7-22-21(14-20)19(13-24(29)31-22)16-25-9-11-26(12-10-25)17-23(28)27-8-4-5-18(2)15-27/h6-7,13-14,18H,3-5,8-12,15-17H2,1-2H3/p+1/t18-/m0/s1