(3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(8-quinolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(8-quinolinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(8-quinolylmethyl)piperidin-1-ium-3-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C25H25N5O/c31-25(28-22-10-8-18(9-11-22)23-12-14-27-29-23)21-7-3-15-30(17-21)16-20-5-1-4-19-6-2-13-26-24(19)20/h1-2,4-6,8-14,21H,3,7,15-17H2,(H,27,29)(H,28,31)/p+1/t21-/m0/s1