2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(5-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-(5-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(5-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(5-methyl-1H-indol-3-yl)ethanone Formula: C28H30N3O+ MolecularWeight: 424.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O/c1-21-12-13-26-24(18-21)25(19-29-26)27(32)20-30-14-16-31(17-15-30)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18-19,28-29H,14-17,20H2,1H3/p+1