N-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-4-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-5-keto-1-(3-methoxyphenyl)pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H24N4O3/c1-19-6-8-20(9-7-19)17(23)18-13-10-16(22)21(12-13)14-4-3-5-15(11-14)24-2/h3-5,11,13H,6-10,12H2,1-2H3,(H,18,23)/p+1/t13-/m0/s1