(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

InChI

InChI=1S/C19H22BrN3O3/c1-3-26-18-16(20)12-14(13-17(18)25-2)19(24)23-10-8-22(9-11-23)15-4-6-21-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3/p+1