2-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-1H-indole

Systemtic Name: 2-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-1H-indole Openeye Name: 2-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-1H-indole CAS Name: 2-methyl-3-[(S)-(4-methyl-1-piperazine-1,4-diiumyl)-phenylmethyl]-1H-indole IUPAC Name: 2-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenylmethyl]-1H-indole Traditional Name: 2-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-1H-indole Formula: C21H27N3+2 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=C3)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=CC=C3)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C21H25N3/c1-16-20(18-10-6-7-11-19(18)22-16)21(17-8-4-3-5-9-17)24-14-12-23(2)13-15-24/h3-11,21-22H,12-15H2,1-2H3/p+2/t21-/m0/s1