4-(azepan-1-ium-1-ylmethyl)-2-ethyl-3-oxidanyl-benzo[c]chromen-6-one

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2-ethyl-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-2-ethyl-3-hydroxy-benzo[c]chromen-6-one CAS Name: 4-(1-azepan-1-iumylmethyl)-2-ethyl-3-hydroxy-6-benzo[c][1]benzopyranone IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-2-ethyl-3-hydroxybenzo[c]chromen-6-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-2-ethyl-3-hydroxy-benzo[c]chromen-6-one Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)C[NH+]4CCCCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)C[NH+]4CCCCCC4)O

InChI

InChI=1S/C22H25NO3/c1-2-15-13-18-16-9-5-6-10-17(16)22(25)26-21(18)19(20(15)24)14-23-11-7-3-4-8-12-23/h5-6,9-10,13,24H,2-4,7-8,11-12,14H2,1H3/p+1