(7-chloranyl-2-oxidanyl-chromen-4-ylidene)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (7-chloranyl-2-oxidanyl-chromen-4-ylidene)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]azanium Openeye Name: (7-chloro-2-hydroxy-chromen-4-ylidene)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]ammonium CAS Name: (7-chloro-2-hydroxy-1-benzopyran-4-ylidene)-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (7-chloro-2-hydroxychromen-4-ylidene)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]azanium Traditional Name: (7-chloro-2-hydroxy-chromen-4-ylidene)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]ammonium Formula: C23H27ClN2O2+2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]=C2C=C(OC3=C2C=CC(=C3)Cl)O)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]=C2C=C(OC3=C2C=CC(=C3)Cl)O)CCCC4=CC=CC=C4

InChI

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