1-naphthalen-2-ylsulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(2-naphthylsulfonyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(2-naphthalenylsulfonyl)-4-(3-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(2-naphthylsulfonyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine Formula: C19H19N4O4S+ MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H18N4O4S/c24-23(25)18-6-3-9-20-19(18)21-10-12-22(13-11-21)28(26,27)17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2/p+1