methyl-[(3S)-1-phenethylpiperidin-3-yl]-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: methyl-[(3S)-1-phenethylpiperidin-3-yl]-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Openeye Name: methyl-[(3S)-1-phenethyl-3-piperidyl]-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]ammonium CAS Name: methyl-[(3S)-1-phenethyl-3-piperidinyl]-[[4-(1-pyrazolylmethyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(3S)-1-phenethylpiperidin-3-yl]-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Traditional Name: methyl-[(3S)-1-phenethyl-3-piperidyl]-[4-(pyrazol-1-ylmethyl)benzyl]ammonium Formula: C25H33N4+ MolecularWeight: 389.55632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)CN2C=CC=N2)C3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)CN2C=CC=N2)[C@H]3CCCN(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4/c1-27(19-23-10-12-24(13-11-23)20-29-17-6-15-26-29)25-9-5-16-28(21-25)18-14-22-7-3-2-4-8-22/h2-4,6-8,10-13,15,17,25H,5,9,14,16,18-21H2,1H3/p+1/t25-/m0/s1