N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(2R)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C20H33N4O5S+ MolecularWeight: 441.56482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2)[NH+]3CCCC3

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2)[NH+]3CCCC3

InChI

InChI=1S/C20H32N4O5S/c1-16(2)13-18(22-7-3-4-8-22)15-21-19-6-5-17(24(25)26)14-20(19)30(27,28)23-9-11-29-12-10-23/h5-6,14,16,18,21H,3-4,7-13,15H2,1-2H3/p+1/t18-/m1/s1