6-(4-methylpiperazin-4-ium-1-yl)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[[(3S)-1-isobutylpyrrolidin-1-ium-3-yl]methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxamide CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-N-[[(3S)-1-(2-methylpropyl)-3-pyrrolidin-1-iumyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[[(3S)-1-isobutylpyrrolidin-1-ium-3-yl]methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxamide Formula: C20H36N5O+3 MolecularWeight: 362.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C[NH+]1CC[C@H](C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H33N5O/c1-16(2)14-24-7-6-17(15-24)12-22-20(26)18-4-5-19(21-13-18)25-10-8-23(3)9-11-25/h4-5,13,16-17H,6-12,14-15H2,1-3H3,(H,22,26)/p+3/t17-/m0/s1