(1-ethylpyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C28H38N5O+ MolecularWeight: 460.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C28H37N5O/c1-2-33-22-24(21-30-33)20-29-25-16-18-32(19-17-25)27-14-12-26(13-15-27)31-28(34)11-7-6-10-23-8-4-3-5-9-23/h3-5,8-9,12-15,21-22,25,29H,2,6-7,10-11,16-20H2,1H3,(H,31,34)/p+1