(3-bromanyl-5-methoxy-4-propoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-5-methoxy-4-propoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H25BrN3O3+ MolecularWeight: 435.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C20H24BrN3O3/c1-3-12-27-19-16(21)13-15(14-17(19)26-2)20(25)24-10-8-23(9-11-24)18-6-4-5-7-22-18/h4-7,13-14H,3,8-12H2,1-2H3/p+1