4-(1,3-benzodioxol-5-ylmethyl)-N-naphthalen-1-yl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-naphthalen-1-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-naphthyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-naphthalenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-naphthalen-1-ylpiperazin-4-ium-1-carboxamide Traditional Name: N-(1-naphthyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C23H24N3O3+ MolecularWeight: 390.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H23N3O3/c27-23(24-20-7-3-5-18-4-1-2-6-19(18)20)26-12-10-25(11-13-26)15-17-8-9-21-22(14-17)29-16-28-21/h1-9,14H,10-13,15-16H2,(H,24,27)/p+1