9-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one

Systemtic Name: 9-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one Openeye Name: 9-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one CAS Name: 9-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one IUPAC Name: 9-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one Traditional Name: 9-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CC(C[NH+]4CCCCCC4)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)C[C@H](C[NH+]4CCCCCC4)O

InChI

InChI=1S/C22H30N2O2/c1-16-9-10-20-19(13-16)18-7-6-8-21(26)22(18)24(20)15-17(25)14-23-11-4-2-3-5-12-23/h9-10,13,17,25H,2-8,11-12,14-15H2,1H3/p+1/t17-/m0/s1