2-bromanyl-6-methoxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-bromanyl-6-methoxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-6-methoxy-4-[[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-6-methoxy-4-[[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-6-methoxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-6-methoxy-4-[[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C20H24BrN3O2/c1-15-3-5-16(6-4-15)14-23-7-9-24(10-8-23)22-13-17-11-18(21)20(25)19(12-17)26-2/h3-6,11-13,22H,7-10,14H2,1-2H3/p+1