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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloranyl-1H-pyrrol-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloro-1H-pyrrol-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-chloro-1H-pyrrol-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloro-1H-pyrrol-2-yl)methanone Traditional Name: (4-chloro-1H-pyrrol-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C17H19ClN3O3+ MolecularWeight: 348.80406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CN4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CN4)Cl

InChI

InChI=1S/C17H18ClN3O3/c18-13-8-14(19-9-13)17(22)21-5-3-20(4-6-21)10-12-1-2-15-16(7-12)24-11-23-15/h1-2,7-9,19H,3-6,10-11H2/p+1