4-[[(2S)-2-(4-phenethylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-(4-phenethylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-(4-phenethylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2S)-1-oxo-2-(4-phenethyl-1-piperidin-1-iumyl)propyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-(4-phenethylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-(4-phenethylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-17(23(28)25-21-11-9-20(10-12-21)22(24)27)26-15-13-19(14-16-26)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,19H,7-8,13-16H2,1H3,(H2,24,27)(H,25,28)/p+1/t17-/m0/s1