(2S)-N-cyclopropyl-2-[[3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]phenyl]amino]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[[3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]phenyl]amino]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]anilino]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]anilino]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]anilino]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]anilino]-2-phenyl-acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)NC3=CC=CC(=C3)C[NH+]4CCC(CC4)O

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)NC3=CC=CC(=C3)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C23H29N3O2/c27-21-11-13-26(14-12-21)16-17-5-4-8-20(15-17)24-22(18-6-2-1-3-7-18)23(28)25-19-9-10-19/h1-8,15,19,21-22,24,27H,9-14,16H2,(H,25,28)/p+1/t22-/m0/s1