N-(4-methoxyphenyl)-4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-16-4-3-13-25(14-16)15-21(26)23-18-7-5-17(6-8-18)22(27)24-19-9-11-20(28-2)12-10-19/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-/m0/s1