4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-propan-2-yl-benzamide

Systemtic Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: 4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-17(2)22-21(25)19-10-8-18(9-11-19)16-23-12-14-24(15-13-23)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,22,25)/p+1