(4-butoxy-3-chloranyl-5-methoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-butoxy-3-chloranyl-5-methoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-butoxy-3-chloro-5-methoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-butoxy-3-chloro-5-methoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-chloro-5-methoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-butoxy-3-chloro-5-methoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C21H26ClN3O3/c1-3-4-13-28-20-17(22)14-16(15-18(20)27-2)21(26)25-11-9-24(10-12-25)19-7-5-6-8-23-19/h5-8,14-15H,3-4,9-13H2,1-2H3/p+1