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

Systemtic Name: 6-[(1-methylpiperidin-1-ium-4-yl)amino]-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-[(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-carboxamide CAS Name: 6-[(1-methyl-4-piperidin-1-iumyl)amino]-N-[[(3S)-1-(2-methylpropyl)-3-pyrrolidin-1-iumyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(1-methylpiperidin-1-ium-4-yl)amino]-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-[(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-carboxamide Formula: C21H38N5O+3 MolecularWeight: 376.55932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(C1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C[NH+]1CC[C@H](C1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CC[NH+](CC3)C

InChI

InChI=1S/C21H35N5O/c1-16(2)14-26-11-6-17(15-26)12-23-21(27)18-4-5-20(22-13-18)24-19-7-9-25(3)10-8-19/h4-5,13,16-17,19H,6-12,14-15H2,1-3H3,(H,22,24)(H,23,27)/p+3/t17-/m0/s1