(1-ethylpyrazol-4-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium Formula: C27H36N5O+ MolecularWeight: 446.60764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O/c1-2-32-21-23(20-29-32)19-28-24-14-16-31(17-15-24)26-12-7-11-25(18-26)30-27(33)13-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-12,18,20-21,24,28H,2,6,10,13-17,19H2,1H3,(H,30,33)/p+1