3-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole

Systemtic Name: 3-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Openeye Name: 3-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole CAS Name: 3-[(S)-(3-bromophenyl)-(1-piperazin-4-iumyl)methyl]-1H-indole IUPAC Name: 3-[(S)-(3-bromophenyl)-piperazin-4-ium-1-ylmethyl]-1H-indole Traditional Name: 3-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Formula: C19H21BrN3+ MolecularWeight: 371.29414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC(=CC=C2)Br)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC(=CC=C2)Br)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C19H20BrN3/c20-15-5-3-4-14(12-15)19(23-10-8-21-9-11-23)17-13-22-18-7-2-1-6-16(17)18/h1-7,12-13,19,21-22H,8-11H2/p+1/t19-/m0/s1