N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)24-12-10-23(11-13-24)9-8-21(25)22-16-6-7-19-20(14-16)28-15-27-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)/p+1