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

Systemtic Name: 3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-yl-methyl]-2-methyl-1H-indole Openeye Name: 3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-(2-pyridyl)methyl]-2-methyl-1H-indole CAS Name: 3-[(S)-(4-ethyl-1-piperazine-1,4-diiumyl)-(2-pyridinyl)methyl]-2-methyl-1H-indole IUPAC Name: 3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-(2-pyridyl)methyl]-2-methyl-1H-indole Formula: C21H28N4+2 MolecularWeight: 336.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C21H26N4/c1-3-24-12-14-25(15-13-24)21(19-10-6-7-11-22-19)20-16(2)23-18-9-5-4-8-17(18)20/h4-11,21,23H,3,12-15H2,1-2H3/p+2/t21-/m1/s1