(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N-phenyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]piperidin-1-ium-3-yl]-phenyl-amine Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)NC3=CC=CC=C3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=CC=C3)CN4C=CC=N4

InChI

InChI=1S/C23H28N4O/c1-28-23-11-10-19(15-20(23)17-27-14-6-12-24-27)16-26-13-5-9-22(18-26)25-21-7-3-2-4-8-21/h2-4,6-8,10-12,14-15,22,25H,5,9,13,16-18H2,1H3/p+1/t22-/m0/s1