(3S)-1-(1-phenethylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-phenethylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-phenethyl-4-piperidyl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-phenethyl-4-piperidinyl)-N-[2-(1-pyrazolyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-phenethylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-phenethyl-4-piperidyl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3)C(=O)NCCN4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3)C(=O)NCCN4C=CC=N4

InChI

InChI=1S/C24H35N5O/c30-24(25-13-19-29-15-5-12-26-29)22-8-4-14-28(20-22)23-10-17-27(18-11-23)16-9-21-6-2-1-3-7-21/h1-3,5-7,12,15,22-23H,4,8-11,13-14,16-20H2,(H,25,30)/p+1/t22-/m0/s1