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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-morpholino-4-phenyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[5-(4-morpholinyl)-4-phenyl-2-thiophenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone Traditional Name: (5-morpholino-4-phenyl-2-thienyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(S4)N5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(S4)N5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C27H29N3O4S/c31-26(29-10-8-28(9-11-29)18-20-6-7-23-24(16-20)34-19-33-23)25-17-22(21-4-2-1-3-5-21)27(35-25)30-12-14-32-15-13-30/h1-7,16-17H,8-15,18-19H2/p+1