N-cyclopropyl-5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzamide

Systemtic Name: N-cyclopropyl-5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzamide Openeye Name: N-cyclopropyl-5-nitro-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzamide CAS Name: N-cyclopropyl-5-nitro-2-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]benzamide IUPAC Name: N-cyclopropyl-5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzamide Traditional Name: N-cyclopropyl-5-nitro-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzamide Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H23N5O3/c26-20(22-16-3-4-16)18-12-17(25(27)28)5-6-19(18)24-10-8-23(9-11-24)14-15-2-1-7-21-13-15/h1-2,5-7,12-13,16H,3-4,8-11,14H2,(H,22,26)/p+1