N-(2-hydroxyphenyl)-1-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[2-keto-2-[methyl-[(1S)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(C)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

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