3-nitro-N-propan-2-yl-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzamide Openeye Name: N-isopropyl-3-nitro-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzamide CAS Name: 3-nitro-N-propan-2-yl-4-[2-(2-pyridin-1-iumylamino)ethylamino]benzamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzamide Traditional Name: N-isopropyl-3-nitro-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzamide Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)NCCNC2=CC=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)NCCNC2=CC=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-12(2)21-17(23)13-6-7-14(15(11-13)22(24)25)18-9-10-20-16-5-3-4-8-19-16/h3-8,11-12,18H,9-10H2,1-2H3,(H,19,20)(H,21,23)/p+1