(2-methoxyphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (2-methoxyphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: (2-methoxyphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: (2-methoxyphenyl)-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (2-methoxyphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: (2-methoxyphenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]methanone Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCCC2CN3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCC[C@H]2CN3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O2/c1-22-16-7-3-2-6-15(16)17(21)20-10-4-5-14(20)13-19-11-8-18-9-12-19/h2-3,6-7,14,18H,4-5,8-13H2,1H3/p+1/t14-/m0/s1