(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C30H42N5O+ MolecularWeight: 488.68738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N5O/c1-4-35-24(3)29(23(2)33-35)22-31-26-18-20-34(21-19-26)28-16-14-27(15-17-28)32-30(36)13-9-8-12-25-10-6-5-7-11-25/h5-7,10-11,14-17,26,31H,4,8-9,12-13,18-22H2,1-3H3,(H,32,36)/p+1