1-(3-nitropyridin-1-ium-2-yl)-4-(4-propylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-propylphenyl)sulfonyl-piperazine Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-propylphenyl)sulfonyl-piperazine CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-(4-propylphenyl)sulfonylpiperazine IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-propylphenyl)sulfonylpiperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-propylphenyl)sulfonyl-piperazine Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-2-4-15-6-8-16(9-7-15)27(25,26)21-13-11-20(12-14-21)18-17(22(23)24)5-3-10-19-18/h3,5-10H,2,4,11-14H2,1H3/p+1