N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4/c1-16-6-8-23(9-7-16)18-5-4-17(14-19(18)25(27)28)20(26)22-15-21(2,3)24-10-12-29-13-11-24/h4-5,14,16H,6-13,15H2,1-3H3,(H,22,26)/p+1