2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O3/c1-17(2)19-5-3-18(4-6-19)16-24-9-11-25(12-10-24)23(26)20-7-8-21-22(15-20)28-14-13-27-21/h3-8,15,17H,9-14,16H2,1-2H3/p+1