(3S)-1-(cyclohexylmethyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-[2-(pyrazol-1-ylmethyl)benzyl]amine Formula: C23H35N4+ MolecularWeight: 367.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C23H34N4/c1-2-8-20(9-3-1)17-26-14-6-12-23(19-26)24-16-21-10-4-5-11-22(21)18-27-15-7-13-25-27/h4-5,7,10-11,13,15,20,23-24H,1-3,6,8-9,12,14,16-19H2/p+1/t23-/m0/s1