(1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-2-phenyl-propan-1-ol

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-2-phenyl-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-2-phenyl-propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-bromophenyl)-2-phenyl-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-2-phenyl-propan-1-ol Formula: C21H27BrNO+ MolecularWeight: 389.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H26BrNO/c22-19-12-10-18(11-13-19)21(24)20(17-8-4-3-5-9-17)16-23-14-6-1-2-7-15-23/h3-5,8-13,20-21,24H,1-2,6-7,14-16H2/p+1/t20-,21+/m1/s1