isoquinolin-5-ylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: 5-isoquinolylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: 5-isoquinolinylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: 5-isoquinolylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)[NH2+]CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)[C@H](C)[NH2+]CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H24N4O/c1-16(25-14-19-6-4-5-18-13-24-12-11-22(18)19)23-15-26-27(17(23)2)20-7-9-21(28-3)10-8-20/h4-13,15-16,25H,14H2,1-3H3/p+1/t16-/m0/s1