N-(1,2-dihydroacenaphthylen-5-yl)-5-nitro-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-yl)-5-nitro-2-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-yl)-5-nitro-2-piperazin-4-ium-1-yl-benzamide CAS Name: N-(1,2-dihydroacenaphthylen-5-yl)-5-nitro-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-yl)-5-nitro-2-piperazin-4-ium-1-ylbenzamide Traditional Name: N-acenaphthen-5-yl-5-nitro-2-piperazin-4-ium-1-yl-benzamide Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CC[NH2+]CC5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CC[NH2+]CC5

InChI

InChI=1S/C23H22N4O3/c28-23(25-20-8-6-16-5-4-15-2-1-3-18(20)22(15)16)19-14-17(27(29)30)7-9-21(19)26-12-10-24-11-13-26/h1-3,6-9,14,24H,4-5,10-13H2,(H,25,28)/p+1