(3S)-N-(3,4-dimethoxyphenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=C(NN=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=C(NN=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H28N4O2/c1-28-21-11-10-19(13-22(21)29-2)25-20-9-6-12-27(16-20)15-18-14-24-26-23(18)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,20,25H,6,9,12,15-16H2,1-2H3,(H,24,26)/p+1/t20-/m0/s1