4-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]benzonitrile Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O2/c1-18(2)21-7-3-20(4-8-21)16-25-11-13-26(14-12-25)23(27)17-28-22-9-5-19(15-24)6-10-22/h3-10,18H,11-14,16-17H2,1-2H3/p+1