3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-mesityl-propionamide Formula: C23H33N3O+2 MolecularWeight: 367.52762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O/c1-18-15-19(2)23(20(3)16-18)24-22(27)9-10-25-11-13-26(14-12-25)17-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27)/p+2