1-[3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propyl]-3-methyl-indole

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propyl]-3-methyl-indole Openeye Name: 1-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-3-methyl-indole CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-3-methylindole IUPAC Name: 1-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-3-methylindole Traditional Name: 1-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-3-methyl-indole Formula: C29H35N3+2 MolecularWeight: 425.6083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CCC[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CCC[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3/c1-24-23-32(28-16-9-8-15-27(24)28)18-10-17-30-19-21-31(22-20-30)29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-16,23,29H,10,17-22H2,1H3/p+2