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

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O3/c1-19-11-7-15(8-12-19)20(2)18(23)14-5-6-16(17(13-14)22(24)25)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12H2,1-2H3/p+1