1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C19H31BrN2O+2 MolecularWeight: 383.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H29BrN2O/c1-15-4-3-5-18(12-15)22-10-8-21(9-11-22)14-16-13-17(20)6-7-19(16)23-2/h6-7,13,15,18H,3-5,8-12,14H2,1-2H3/p+2/t15-,18+/m1/s1