(2-methyl-4-morpholin-4-yl-phenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (2-methyl-4-morpholin-4-yl-phenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (2-methyl-4-morpholino-phenyl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-methyl-4-(4-morpholinyl)phenyl]methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (2-methyl-4-morpholin-4-ylphenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (2-methyl-4-morpholino-benzyl)-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCOCC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCOCC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H27N3OS/c1-19-14-22(26-9-11-27-12-10-26)7-6-21(19)17-25(18-23-5-3-13-28-23)16-20-4-2-8-24-15-20/h2-8,13-15H,9-12,16-18H2,1H3/p+1