2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C29H40N5O+ MolecularWeight: 474.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4)C

InChI

InChI=1S/C29H39N5O/c1-23-22-24(2)34(32-23)21-18-30-26-16-19-33(20-17-26)28-14-12-27(13-15-28)31-29(35)11-7-6-10-25-8-4-3-5-9-25/h3-5,8-9,12-15,22,26,30H,6-7,10-11,16-21H2,1-2H3,(H,31,35)/p+1