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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(4-benzylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(4-benzylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(4-benzylpiperazin-1-ium-1-yl)propionamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3/c25-21(22-18-6-7-19-20(14-18)27-16-26-19)8-9-23-10-12-24(13-11-23)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,22,25)/p+1