(2S)-2-(3-methoxy-2-oxidanyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(3-methoxy-2-oxidanyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(2-hydroxy-3-methoxy-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(2-hydroxy-3-methoxyphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(2-hydroxy-3-methoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(2-hydroxy-3-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=CC(=C1O)C(C(=O)N2CCNCC2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1O)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3

InChI

InChI=1S/C17H25N3O3/c1-23-14-6-4-5-13(16(14)21)15(19-9-2-3-10-19)17(22)20-11-7-18-8-12-20/h4-6,15,18,21H,2-3,7-12H2,1H3/p+1/t15-/m0/s1