(1,5-dimethylindol-2-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1,5-dimethylindol-2-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1,5-dimethylindol-2-yl)methanone CAS Name: (1,5-dimethyl-2-indolyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1,5-dimethylindol-2-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1,5-dimethylindol-2-yl)methanone Formula: C28H30N3O+ MolecularWeight: 424.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3O/c1-21-13-14-25-24(19-21)20-26(29(25)2)28(32)31-17-15-30(16-18-31)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19-20,27H,15-18H2,1-2H3/p+1