1-(3-nitropyridin-1-ium-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-tetralin-6-ylsulfonyl-piperazine CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-tetralin-6-ylsulfonyl-piperazine Formula: C19H23N4O4S+ MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/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/h3,6-9,14H,1-2,4-5,10-13H2/p+1