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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H33N5O/c1-26-16-20(15-25-26)14-24-23(29)21-8-5-11-28(18-21)22-9-12-27(13-10-22)17-19-6-3-2-4-7-19/h2-4,6-7,15-16,21-22H,5,8-14,17-18H2,1H3,(H,24,29)/p+2/t21-/m0/s1