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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

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