1-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C21H31N3O3/c1-16(21(27)24-12-6-2-3-7-13-24)23-14-10-17(11-15-23)20(26)22-18-8-4-5-9-19(18)25/h4-5,8-9,16-17,25H,2-3,6-7,10-15H2,1H3,(H,22,26)/p+1/t16-/m0/s1