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

Systemtic Name: (3S)-N-[(1-ethylpyrazol-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-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(1-ethyl-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-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C24H37N5O+2 MolecularWeight: 411.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H35N5O/c1-2-29-18-21(16-26-29)15-25-24(30)22-9-6-12-28(19-22)23-10-13-27(14-11-23)17-20-7-4-3-5-8-20/h3-5,7-8,16,18,22-23H,2,6,9-15,17,19H2,1H3,(H,25,30)/p+2/t22-/m0/s1