(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone Formula: C21H26BrN2O3+ MolecularWeight: 434.34674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25BrN2O3/c1-3-27-20-18(22)13-17(14-19(20)26-2)21(25)24-11-9-23(10-12-24)15-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3/p+1