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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C19H30BrN2O+ MolecularWeight: 382.3583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(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+1/t15-,18+/m0/s1