7-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Systemtic Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 7-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O

InChI

InChI=1S/C21H27NO4/c23-15(13-22-10-3-1-2-4-11-22)14-25-16-8-9-18-17-6-5-7-19(17)21(24)26-20(18)12-16/h8-9,12,15,23H,1-7,10-11,13-14H2/p+1/t15-/m0/s1