(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(1-methyl-2-imidazolyl)methyl]-4-piperidin-1-iumyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C23H35N5O+2 MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H33N5O/c1-26-15-11-24-22(26)18-27-13-9-21(10-14-27)28-12-5-8-20(17-28)23(29)25-16-19-6-3-2-4-7-19/h2-4,6-7,11,15,20-21H,5,8-10,12-14,16-18H2,1H3,(H,25,29)/p+2/t20-/m0/s1