(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C24H31N2O4+ MolecularWeight: 411.51394

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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)OC)OCCO4

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-17(2)19-6-4-18(5-7-19)16-25-8-10-26(11-9-25)24(27)20-14-21(28-3)23-22(15-20)29-12-13-30-23/h4-7,14-15,17H,8-13,16H2,1-3H3/p+1