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

Systemtic Name: [2,3-dimethyl-1-(phenylmethyl)indol-5-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-2,3-dimethyl-indol-5-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: [2,3-dimethyl-1-(phenylmethyl)-5-indolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-2,3-dimethylindol-5-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-2,3-dimethyl-indol-5-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H31N3O/c1-22-23(2)32(21-25-11-7-4-8-12-25)28-14-13-26(19-27(22)28)29(33)31-17-15-30(16-18-31)20-24-9-5-3-6-10-24/h3-14,19H,15-18,20-21H2,1-2H3/p+1