3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O/c1-17(2)20-8-6-18(7-9-20)16-24-10-12-25(13-11-24)22(26)21-5-3-4-19(14-21)15-23/h3-9,14,17H,10-13,16H2,1-2H3/p+1