N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c1-16-3-2-4-17(11-16)13-23-7-9-24(10-8-23)14-21(25)22-18-5-6-19-20(12-18)27-15-26-19/h2-6,11-12H,7-10,13-15H2,1H3,(H,22,25)/p+1