N-[3-oxidanylidene-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]benzamide

Systemtic Name: N-[3-oxidanylidene-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: N-[3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: N-[3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-19(2)21-10-8-20(9-11-21)18-26-14-16-27(17-15-26)23(28)12-13-25-24(29)22-6-4-3-5-7-22/h3-11,19H,12-18H2,1-2H3,(H,25,29)/p+1