(3S)-1-[1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(1H-imidazol-3-ium-2-ylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1H-imidazol-3-ium-2-ylmethyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(1H-imidazol-3-ium-2-ylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=[NH+]C=CN3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=[NH+]C=CN3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O/c28-22(25-15-18-5-2-1-3-6-18)19-7-4-12-27(16-19)20-8-13-26(14-9-20)17-21-23-10-11-24-21/h1-3,5-6,10-11,19-20H,4,7-9,12-17H2,(H,23,24)(H,25,28)/p+2/t19-/m0/s1