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

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-16-7-13-21(14-8-16)10-4-9-20-18-6-5-17(15-19(18)23(24)25)28(26,27)22-11-2-3-12-22/h5-6,15-16,20H,2-4,7-14H2,1H3/p+1