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

Systemtic Name: 2-methyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-pyridin-2-yl-methyl]-1H-indole Openeye Name: 2-methyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyridyl)methyl]-1H-indole CAS Name: 2-methyl-3-[(S)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-(2-pyridinyl)methyl]-1H-indole IUPAC Name: 2-methyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-pyridin-2-ylmethyl]-1H-indole Traditional Name: 2-methyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazino)-(2-pyridyl)methyl]-1H-indole Formula: C24H26N5+ MolecularWeight: 384.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H25N5/c1-18-23(19-8-2-3-9-20(19)27-18)24(21-10-4-6-12-25-21)29-16-14-28(15-17-29)22-11-5-7-13-26-22/h2-13,24,27H,14-17H2,1H3/p+1/t24-/m1/s1