3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-(benzylcarbamoyl)propanamide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-(benzylcarbamoyl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-(4-piperonylpiperazin-4-ium-1-yl)propionamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCC(=O)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCC(=O)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O4/c28-22(25-23(29)24-15-18-4-2-1-3-5-18)8-9-26-10-12-27(13-11-26)16-19-6-7-20-21(14-19)31-17-30-20/h1-7,14H,8-13,15-17H2,(H2,24,25,28,29)/p+1