N-[(3-methyl-1-phenyl-5-piperidin-1-ium-1-yl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(3-methyl-1-phenyl-5-piperidin-1-ium-1-yl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(3-methyl-1-phenyl-5-piperidin-1-ium-1-yl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine CAS Name: N-[[3-methyl-1-phenyl-5-(1-piperidin-1-iumyl)-4-pyrazolyl]methyl]-2-phenylethanamine IUPAC Name: N-[(3-methyl-1-phenyl-5-piperidin-1-ium-1-ylpyrazol-4-yl)methyl]-2-phenylethanamine Traditional Name: (3-methyl-1-phenyl-5-piperidin-1-ium-1-yl-pyrazol-4-yl)methyl-phenethyl-amine Formula: C24H31N4+ MolecularWeight: 375.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCCC2=CC=CC=C2)[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CNCCC2=CC=CC=C2)[NH+]3CCCCC3)C4=CC=CC=C4

InChI

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