dimethyl-[(2S)-3-methyl-1-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-3-methyl-1-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]butan-2-yl]azanium Openeye Name: dimethyl-[(1S)-2-methyl-1-[[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]methyl]propyl]ammonium CAS Name: dimethyl-[(2S)-3-methyl-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-3-methyl-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]butan-2-yl]azanium Traditional Name: dimethyl-[(1S)-2-methyl-1-[[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]methyl]propyl]ammonium Formula: C19H33N4O4S+ MolecularWeight: 413.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C(C)C)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@H](C(C)C)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H32N4O4S/c1-14(2)19(21(4)5)13-20-17-7-6-16(12-18(17)23(24)25)28(26,27)22-10-8-15(3)9-11-22/h6-7,12,14-15,19-20H,8-11,13H2,1-5H3/p+1/t19-/m1/s1