methyl-[(1R)-2-phenyl-1-[1-(1-phenylpyrazol-4-yl)carbonylpiperidin-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: methyl-[(1R)-2-phenyl-1-[1-(1-phenylpyrazol-4-yl)carbonylpiperidin-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: methyl-[(1R)-2-phenyl-1-[1-(1-phenylpyrazole-4-carbonyl)-4-piperidyl]ethyl]-(4-pyridylmethyl)ammonium CAS Name: methyl-[(1R)-1-[1-[oxo-(1-phenyl-4-pyrazolyl)methyl]-4-piperidinyl]-2-phenylethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: methyl-[(1R)-2-phenyl-1-[1-(1-phenylpyrazole-4-carbonyl)piperidin-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: methyl-[(1R)-2-phenyl-1-[1-(1-phenylpyrazole-4-carbonyl)-4-piperidyl]ethyl]-(4-pyridylmethyl)ammonium Formula: C30H34N5O+ MolecularWeight: 480.62386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H33N5O/c1-33(22-25-12-16-31-17-13-25)29(20-24-8-4-2-5-9-24)26-14-18-34(19-15-26)30(36)27-21-32-35(23-27)28-10-6-3-7-11-28/h2-13,16-17,21,23,26,29H,14-15,18-20,22H2,1H3/p+1/t29-/m1/s1