11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[3-(1-methyl-1-azepan-1-iumyl)-1-oxopropyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

C[N+]1(CCCCCC1)CCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-26(14-6-2-3-7-15-26)16-12-20(27)25-19-11-5-4-9-17(19)22(28)24-18-10-8-13-23-21(18)25/h4-5,8-11,13H,2-3,6-7,12,14-16H2,1H3/p+1