[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: [1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-(4-pyridylmethyl)ammonium Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC=NC=C2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC=NC=C2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c33-28(9-5-4-8-23-6-2-1-3-7-23)31-26-10-12-27(13-11-26)32-20-16-25(17-21-32)30-22-24-14-18-29-19-15-24/h1-3,6-7,10-15,18-19,25,30H,4-5,8-9,16-17,20-22H2,(H,31,33)/p+1