4-(azocan-1-ium-1-ylmethyl)-7-methoxy-chromen-2-one

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-7-methoxy-chromen-2-one Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-7-methoxy-chromen-2-one CAS Name: 4-(1-azocan-1-iumylmethyl)-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-7-methoxychromen-2-one Traditional Name: 4-(azocan-1-ium-1-ylmethyl)-7-methoxy-coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C18H23NO3/c1-21-15-7-8-16-14(11-18(20)22-17(16)12-15)13-19-9-5-3-2-4-6-10-19/h7-8,11-12H,2-6,9-10,13H2,1H3/p+1