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

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[3-(4-methylpiperidin-1-ium-1-yl)propyl]amine Formula: C16H26N3O4S+ MolecularWeight: 356.46034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S/c1-13-6-10-18(11-7-13)9-3-8-17-15-5-4-14(24(2,22)23)12-16(15)19(20)21/h4-5,12-13,17H,3,6-11H2,1-2H3/p+1