4-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5O2/c22-20(28)14-7-9-16(10-8-14)23-19(27)13-26-11-3-4-15(12-26)21-24-17-5-1-2-6-18(17)25-21/h1-2,5-10,15H,3-4,11-13H2,(H2,22,28)(H,23,27)(H,24,25)/p+1/t15-/m0/s1