(5-chloranyl-1,3-dimethyl-indol-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-1,3-dimethyl-indol-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-1,3-dimethyl-indol-2-yl)methanone CAS Name: (5-chloro-1,3-dimethyl-2-indolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-1,3-dimethylindol-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-1,3-dimethyl-indol-2-yl)methanone Formula: C22H25ClN3O+ MolecularWeight: 382.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)Cl)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)Cl)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O/c1-16-19-14-18(23)8-9-20(19)24(2)21(16)22(27)26-12-10-25(11-13-26)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1