[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-1H-indol-2-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-1H-indol-2-yl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-1H-indol-2-yl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]-(5-methyl-1H-indol-2-yl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-1H-indol-2-yl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-1H-indol-2-yl)methanone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N3O3/c1-16-2-4-19-18(12-16)14-20(24-19)23(27)26-8-6-25(7-9-26)15-17-3-5-21-22(13-17)29-11-10-28-21/h2-5,12-14,24H,6-11,15H2,1H3/p+1