(2S)-2-(4-methoxy-2-oxidanyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(4-methoxy-2-oxidanyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(2-hydroxy-4-methoxy-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(2-hydroxy-4-methoxyphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(2-hydroxy-4-methoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(2-hydroxy-4-methoxy-phenyl)-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3)O

InChI

InChI=1S/C17H25N3O3/c1-23-13-4-5-14(15(21)12-13)16(19-8-2-3-9-19)17(22)20-10-6-18-7-11-20/h4-5,12,16,18,21H,2-3,6-11H2,1H3/p+1/t16-/m0/s1