N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

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