N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]-3-methyl-benzamide

Systemtic Name: N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]-3-methyl-benzamide Openeye Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-3-methyl-benzamide CAS Name: N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-3-methylbenzamide Traditional Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-3-methyl-benzamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2OC)NC(=O)C[NH+]3CCCCC3)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2OC)NC(=O)C[NH+]3CCCCC3)OC

InChI

InChI=1S/C23H29N3O4/c1-16-8-7-9-17(12-16)23(28)25-19-14-20(29-2)18(13-21(19)30-3)24-22(27)15-26-10-5-4-6-11-26/h7-9,12-14H,4-6,10-11,15H2,1-3H3,(H,24,27)(H,25,28)/p+1