N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: N-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-18(2)20-10-8-19(9-11-20)17-25-12-14-26(15-13-25)22(27)16-24-23(28)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,28)/p+1