[1-[4-(cyclopentylcarbamoyl)phenyl]piperidin-4-yl]-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [1-[4-(cyclopentylcarbamoyl)phenyl]piperidin-4-yl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [1-[4-(cyclopentylcarbamoyl)phenyl]-4-piperidyl]-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [1-[4-[(cyclopentylamino)-oxomethyl]phenyl]-4-piperidinyl]-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [1-[4-(cyclopentylcarbamoyl)phenyl]piperidin-4-yl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [1-[4-(cyclopentylcarbamoyl)phenyl]-4-piperidyl]-(4-pyrazol-1-ylbenzyl)ammonium Formula: C27H34N5O+ MolecularWeight: 444.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C27H33N5O/c33-27(30-24-4-1-2-5-24)22-8-12-25(13-9-22)31-18-14-23(15-19-31)28-20-21-6-10-26(11-7-21)32-17-3-16-29-32/h3,6-13,16-17,23-24,28H,1-2,4-5,14-15,18-20H2,(H,30,33)/p+1