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

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]ammonium CAS Name: methyl-(phenylmethyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl]ammonium IUPAC Name: benzyl-methyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]ammonium Formula: C23H29N4+ MolecularWeight: 361.50316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4/c1-26(16-19-9-4-2-5-10-19)22-13-8-14-27(18-22)17-21-15-24-25-23(21)20-11-6-3-7-12-20/h2-7,9-12,15,22H,8,13-14,16-18H2,1H3,(H,24,25)/p+1/t22-/m0/s1