(3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)O

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC=C(C=C3)O

InChI

InChI=1S/C22H35N3O2/c1-17(2)24-14-10-20(11-15-24)25-13-3-4-19(16-25)22(27)23-12-9-18-5-7-21(26)8-6-18/h5-8,17,19-20,26H,3-4,9-16H2,1-2H3,(H,23,27)/p+1/t19-/m0/s1