methyl-phenethyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]ammonium CAS Name: methyl-phenethyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl]ammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]ammonium Formula: C24H31N4+ MolecularWeight: 375.52974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4/c1-27(16-14-20-9-4-2-5-10-20)23-13-8-15-28(19-23)18-22-17-25-26-24(22)21-11-6-3-7-12-21/h2-7,9-12,17,23H,8,13-16,18-19H2,1H3,(H,25,26)/p+1/t23-/m0/s1