N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (2-methyl-2-morpholin-4-ium-4-yl-propyl)-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C20H33N4O5S+ MolecularWeight: 441.56482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)(C)[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)(C)[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O5S/c1-16-6-8-23(9-7-16)30(27,28)17-4-5-18(19(14-17)24(25)26)21-15-20(2,3)22-10-12-29-13-11-22/h4-5,14,16,21H,6-13,15H2,1-3H3/p+1