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

Systemtic Name: (5-morpholin-4-yl-4-phenyl-thiophen-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-morpholino-4-phenyl-2-thienyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(4-morpholinyl)-4-phenyl-2-thiophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-morpholin-4-yl-4-phenylthiophen-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-morpholino-4-phenyl-2-thienyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=C(S3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=C(S3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2S/c30-24(28-12-10-27(11-13-28)19-20-6-8-26-9-7-20)23-18-22(21-4-2-1-3-5-21)25(32-23)29-14-16-31-17-15-29/h1-9,18H,10-17,19H2/p+1