(2R)-2-(4-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (2R)-2-(4-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2R)-2-(4-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: (2R)-2-(4-methylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: (2R)-2-(4-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2R)-2-(4-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)C

Isomeric SMILES

CC[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O2/c1-3-18(25-17-9-7-16(2)8-10-17)20(24)23-14-12-22(13-15-23)19-6-4-5-11-21-19/h4-11,18H,3,12-15H2,1-2H3/p+1/t18-/m1/s1