2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-4-yl-methyl]-1H-indole

Systemtic Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-4-yl-methyl]-1H-indole Openeye Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(4-pyridyl)methyl]-1H-indole CAS Name: 2-methyl-3-[(S)-(4-phenyl-1-piperazin-1-iumyl)-pyridin-4-ylmethyl]-1H-indole IUPAC Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-4-ylmethyl]-1H-indole Traditional Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(4-pyridyl)methyl]-1H-indole Formula: C25H27N4+ MolecularWeight: 383.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=NC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4/c1-19-24(22-9-5-6-10-23(22)27-19)25(20-11-13-26-14-12-20)29-17-15-28(16-18-29)21-7-3-2-4-8-21/h2-14,25,27H,15-18H2,1H3/p+1/t25-/m0/s1