[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[[3-methoxy-4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]ammonium CAS Name: [3-methoxy-4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[3-methoxy-4-[(2-methylthiazol-4-yl)methoxy]benzyl]ammonium Formula: C21H33N3O2S+2 MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=C(C=C(C=C2)C[NH2+]C3CC[NH+](CC3)C(C)C)OC

Isomeric SMILES

CC1=NC(=CS1)COC2=C(C=C(C=C2)C[NH2+]C3CC[NH+](CC3)C(C)C)OC

InChI

InChI=1S/C21H31N3O2S/c1-15(2)24-9-7-18(8-10-24)22-12-17-5-6-20(21(11-17)25-4)26-13-19-14-27-16(3)23-19/h5-6,11,14-15,18,22H,7-10,12-13H2,1-4H3/p+2