N-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Openeye Name: N-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide CAS Name: N-(4-methoxyphenyl)-4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitrobenzamide IUPAC Name: N-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitrobenzamide Traditional Name: N-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Formula: C21H27N4O5+ MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-29-18-6-4-17(5-7-18)23-21(26)16-3-8-19(20(15-16)25(27)28)22-9-2-10-24-11-13-30-14-12-24/h3-8,15,22H,2,9-14H2,1H3,(H,23,26)/p+1