4-(azepan-1-ium-1-ylmethyl)-3-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-3-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one CAS Name: 4-(1-azepan-1-iumylmethyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)O

InChI

InChI=1S/C20H25NO3/c22-18-10-9-15-14-7-3-4-8-16(14)20(23)24-19(15)17(18)13-21-11-5-1-2-6-12-21/h9-10,22H,1-8,11-13H2/p+1