4-[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide

Systemtic Name: 4-[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[4-[2-(isobutylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(2-naphthyl)-3-nitro-benzamide Formula: C27H32N5O4+ MolecularWeight: 490.57408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O4/c1-19(2)17-28-26(33)18-30-11-13-31(14-12-30)24-10-8-22(16-25(24)32(35)36)27(34)29-23-9-7-20-5-3-4-6-21(20)15-23/h3-10,15-16,19H,11-14,17-18H2,1-2H3,(H,28,33)(H,29,34)/p+1