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

Systemtic Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(1-methyl-4-pyrazolyl)methyl]-1-(1-phenethyl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H35N5O/c1-27-18-21(17-26-27)16-25-24(30)22-8-5-12-29(19-22)23-10-14-28(15-11-23)13-9-20-6-3-2-4-7-20/h2-4,6-7,17-18,22-23H,5,8-16,19H2,1H3,(H,25,30)/p+1/t22-/m0/s1