1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazine Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine Formula: C23H31BrN3O+ MolecularWeight: 445.41574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30BrN3O/c1-28-23-8-7-20(24)17-19(23)18-25-11-9-22(10-12-25)27-15-13-26(14-16-27)21-5-3-2-4-6-21/h2-8,17,22H,9-16,18H2,1H3/p+1