N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-piperidino-benzamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O3/c1-20-12-8-16(9-13-20)21(2)19(24)15-6-7-17(18(14-15)23(25)26)22-10-4-3-5-11-22/h6-7,14,16H,3-5,8-13H2,1-2H3/p+1