1-(9H-fluoren-2-ylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(9H-fluoren-2-ylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-(9H-fluoren-2-ylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-(9H-fluoren-2-ylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(9H-fluoren-2-ylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(9H-fluoren-2-ylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C22H27N2O2+ MolecularWeight: 351.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CCC1=O)CC2=CC3=C(C=C2)C4=CC=CC=C4C3

Isomeric SMILES

COCCN1CC[NH+](CCC1=O)CC2=CC3=C(C=C2)C4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O2/c1-26-13-12-24-11-10-23(9-8-22(24)25)16-17-6-7-21-19(14-17)15-18-4-2-3-5-20(18)21/h2-7,14H,8-13,15-16H2,1H3/p+1