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

Systemtic Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-3-yl-methyl]-1H-indole Openeye Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(3-pyridyl)methyl]-1H-indole CAS Name: 2-methyl-3-[(S)-(4-phenyl-1-piperazin-1-iumyl)-(3-pyridinyl)methyl]-1H-indole IUPAC Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-3-ylmethyl]-1H-indole Traditional Name: 2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(3-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=CN=CC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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