3-azanyl-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-carbonitrile

Systemtic Name: 3-azanyl-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-carbonitrile Openeye Name: 3-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-carbonitrile CAS Name: 3-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)-4-pyrazol-1-iumcarbonitrile IUPAC Name: 3-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-carbonitrile Traditional Name: 3-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-carbonitrile Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(C=C(C(=N1)N)C#N)CCCCC2=CC=CC=C2)O

Isomeric SMILES

CC([N+]1(C=C(C(=N1)N)C#N)CCCCC2=CC=CC=C2)O

InChI

InChI=1S/C16H21N4O/c1-13(21)20(12-15(11-17)16(18)19-20)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,12-13,21H,5-6,9-10H2,1H3,(H2,18,19)/q+1