N-[10-methyl-6-(non-8-ynoylamino)acridin-10-ium-3-yl]non-8-ynamide bromide

Systemtic Name: N-[10-methyl-6-(non-8-ynoylamino)acridin-10-ium-3-yl]non-8-ynamide bromide Openeye Name: N-[10-methyl-6-(non-8-ynoylamino)acridin-10-ium-3-yl]non-8-ynamide bromide CAS Name: N-[10-methyl-6-(1-oxonon-8-ynylamino)-3-acridin-10-iumyl]-8-nonynamide bromide IUPAC Name: N-[10-methyl-6-(non-8-ynoylamino)acridin-10-ium-3-yl]non-8-ynamide bromide Traditional Name: N-[10-methyl-6-(non-8-ynoylamino)acridin-10-ium-3-yl]non-8-ynamide bromide Formula: C32H38BrN3O2 MolecularWeight: 576.56702

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)NC(=O)CCCCCCC#C)NC(=O)CCCCCCC#C.[Br-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)NC(=O)CCCCCCC#C)NC(=O)CCCCCCC#C.[Br-]

InChI

InChI=1S/C32H37N3O2.BrH/c1-4-6-8-10-12-14-16-31(36)33-27-20-18-25-22-26-19-21-28(24-30(26)35(3)29(25)23-27)34-32(37)17-15-13-11-9-7-5-2;/h1-2,18-24H,6-17H2,3H3,(H,33,34,36,37);1H