N-[1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-17(22(27)24-16-18-8-10-21(29-2)11-9-18)26-14-12-20(13-15-26)25-23(28)19-6-4-3-5-7-19/h3-11,17,20H,12-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t17-/m0/s1