N-[2,5-dimethoxy-4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H29N3O4/c1-16-8-7-11-26(14-16)15-22(27)24-18-12-21(30-3)19(13-20(18)29-2)25-23(28)17-9-5-4-6-10-17/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3,(H,24,27)(H,25,28)/p+1/t16-/m0/s1