(2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C16H26N4O+2 MolecularWeight: 290.40384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCC[NH2+]3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C16H24N4O/c1-19-9-11-20(12-10-19)14-6-4-13(5-7-14)18-16(21)15-3-2-8-17-15/h4-7,15,17H,2-3,8-12H2,1H3,(H,18,21)/p+2/t15-/m0/s1