N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

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