(S)-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]-phenyl-methanol

Systemtic Name: (S)-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]-phenyl-methanol Openeye Name: (S)-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-4-piperidyl]-phenyl-methanol CAS Name: (S)-[1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-4-piperidinyl]-phenylmethanol IUPAC Name: (S)-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidin-4-yl]-phenylmethanol Traditional Name: (S)-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-4-piperidyl]-phenyl-methanol Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(C4=CC=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)[C@@H](C4=CC=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5S/c1-24-13-15-26(16-14-24)33(31,32)20-7-8-21(22(17-20)27(29)30)25-11-9-19(10-12-25)23(28)18-5-3-2-4-6-18/h2-8,17,19,23,28H,9-16H2,1H3/p+1/t23-/m1/s1