N-[6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl]-4-nitro-benzamide

Systemtic Name: N-[6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl]-4-nitro-benzamide Openeye Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-4-nitro-benzamide CAS Name: N-[6-(3,6-diamino-10-acridin-10-iumyl)hexyl]-4-nitrobenzamide IUPAC Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-4-nitrobenzamide Traditional Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-4-nitro-benzamide Formula: C26H28N5O3+ MolecularWeight: 458.53222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O3/c27-21-9-5-19-15-20-6-10-22(28)17-25(20)30(24(19)16-21)14-4-2-1-3-13-29-26(32)18-7-11-23(12-8-18)31(33)34/h5-12,15-17H,1-4,13-14H2,(H4,27,28,29,32)/p+1