[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrrol-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrrol-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrrol-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1-methyl-2-pyrrolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrrol-2-yl)methanone Traditional Name: (1-methylpyrrol-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O3/c1-19-6-2-3-15(19)18(22)21-9-7-20(8-10-21)12-14-4-5-16-17(11-14)24-13-23-16/h2-6,11H,7-10,12-13H2,1H3/p+1