ethyl 4-[(3S)-1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(6-chloro-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(6-chloro-4-keto-chromen-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29ClN3O4+ MolecularWeight: 434.93636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3O4/c1-2-29-22(28)26-10-8-25(9-11-26)18-4-3-7-24(14-18)13-16-15-30-20-6-5-17(23)12-19(20)21(16)27/h5-6,12,15,18H,2-4,7-11,13-14H2,1H3/p+1/t18-/m0/s1