N-(3,5-dimethylphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,5-dimethylphenyl)propanamide CAS Name: N-(3,5-dimethylphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,5-dimethylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,5-dimethylphenyl)propionamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-18-14-19(2)16-21(15-18)23-22(26)8-9-24-10-12-25(13-11-24)17-20-6-4-3-5-7-20/h3-7,14-16H,8-13,17H2,1-2H3,(H,23,26)/p+2