(2S)-3-(4-methylphenoxy)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-3-(4-methylphenoxy)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-3-(4-methylphenoxy)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-3-(4-methylphenoxy)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: (2S)-3-(4-methylphenoxy)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-3-(4-methylphenoxy)-1-piperazino-2-pyrrolidin-1-ium-1-yl-propan-1-one Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C(=O)N2CCNCC2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O2/c1-15-4-6-16(7-5-15)23-14-17(20-10-2-3-11-20)18(22)21-12-8-19-9-13-21/h4-7,17,19H,2-3,8-14H2,1H3/p+1/t17-/m0/s1