6-chloranyl-4-[[1-(3-phenylpropyl)piperidin-1-ium-4-yl]amino]chromen-2-one

Systemtic Name: 6-chloranyl-4-[[1-(3-phenylpropyl)piperidin-1-ium-4-yl]amino]chromen-2-one Openeye Name: 6-chloro-4-[[1-(3-phenylpropyl)piperidin-1-ium-4-yl]amino]chromen-2-one CAS Name: 6-chloro-4-[[1-(3-phenylpropyl)-4-piperidin-1-iumyl]amino]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[1-(3-phenylpropyl)piperidin-1-ium-4-yl]amino]chromen-2-one Traditional Name: 6-chloro-4-[[1-(3-phenylpropyl)piperidin-1-ium-4-yl]amino]coumarin Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN2O2/c24-18-8-9-22-20(15-18)21(16-23(27)28-22)25-19-10-13-26(14-11-19)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15-16,19,25H,4,7,10-14H2/p+1