2-methyl-3-[(R)-[4-(phenylmethyl)piperazin-1-ium-1-yl]-pyridin-4-yl-methyl]-1H-indole

Systemtic Name: 2-methyl-3-[(R)-[4-(phenylmethyl)piperazin-1-ium-1-yl]-pyridin-4-yl-methyl]-1H-indole Openeye Name: 3-[(R)-(4-benzylpiperazin-1-ium-1-yl)-(4-pyridyl)methyl]-2-methyl-1H-indole CAS Name: 2-methyl-3-[(R)-[4-(phenylmethyl)-1-piperazin-1-iumyl]-pyridin-4-ylmethyl]-1H-indole IUPAC Name: 3-[(R)-(4-benzylpiperazin-1-ium-1-yl)-pyridin-4-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(R)-(4-benzylpiperazin-1-ium-1-yl)-(4-pyridyl)methyl]-2-methyl-1H-indole Formula: C26H29N4+ MolecularWeight: 397.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)[NH+]4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C3=CC=NC=C3)[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4/c1-20-25(23-9-5-6-10-24(23)28-20)26(22-11-13-27-14-12-22)30-17-15-29(16-18-30)19-21-7-3-2-4-8-21/h2-14,26,28H,15-19H2,1H3/p+1/t26-/m1/s1