4-(azocan-1-ium-1-ylmethyl)-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-6-chloro-7-methyl-chromen-2-one CAS Name: 4-(1-azocan-1-iumylmethyl)-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-6-chloro-7-methylchromen-2-one Traditional Name: 4-(azocan-1-ium-1-ylmethyl)-6-chloro-7-methyl-coumarin Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCCC3)Cl

InChI

InChI=1S/C18H22ClNO2/c1-13-9-17-15(11-16(13)19)14(10-18(21)22-17)12-20-7-5-3-2-4-6-8-20/h9-11H,2-8,12H2,1H3/p+1