(2R)-2-[4-[(R)-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-phenyl-methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-[(R)-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-phenyl-methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-[(R)-(5-bromo-2-hydroxy-3-methoxy-phenyl)-phenyl-methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-[(R)-(5-bromo-2-hydroxy-3-methoxyphenyl)-phenylmethyl]-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-[(R)-(5-bromo-2-hydroxy-3-methoxyphenyl)-phenylmethyl]piperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-[(R)-(5-bromo-2-hydroxy-3-methoxy-phenyl)-phenyl-methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C24H31BrN3O3+ MolecularWeight: 489.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC(=CC(=C4O)OC)Br

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC(=CC(=C4O)OC)Br

InChI

InChI=1S/C24H30BrN3O3/c1-16(24(30)26-19-8-9-19)27-10-12-28(13-11-27)22(17-6-4-3-5-7-17)20-14-18(25)15-21(31-2)23(20)29/h3-7,14-16,19,22,29H,8-13H2,1-2H3,(H,26,30)/p+1/t16-,22-/m1/s1