4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitroaniline IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitroaniline Traditional Name: [4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H30N4O5S/c1-15-11-16(2)14-22(13-15)29(26,27)17-3-4-18(19(12-17)23(24)25)20-5-6-21-7-9-28-10-8-21/h3-4,12,15-16,20H,5-11,13-14H2,1-2H3/p+1/t15-,16-/m0/s1