[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: [4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzyl]-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C24H31N3O2S+2 MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)C[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)C[NH+]4CCOCC4

InChI

InChI=1S/C24H29N3O2S/c1-28-24-7-6-20(14-22(24)18-26-9-11-29-12-10-26)16-27(19-23-5-3-13-30-23)17-21-4-2-8-25-15-21/h2-8,13-15H,9-12,16-19H2,1H3/p+2