1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(3-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-3-15(2)16-6-8-17(9-7-16)28(26,27)22-13-11-21(12-14-22)19-18(23(24)25)5-4-10-20-19/h4-10,15H,3,11-14H2,1-2H3/p+1/t15-/m0/s1