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

Systemtic Name: 2-methyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-1H-indole Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-3-yl-methyl]-2-methyl-1H-indole CAS Name: 2-methyl-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]-(3-pyridin-1-iumyl)methyl]-1H-indole IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-3-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-3-yl-methyl]-2-methyl-1H-indole Formula: C27H31N3+2 MolecularWeight: 397.55514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3/c1-20-26(24-11-5-6-12-25(24)29-20)27(23-10-7-15-28-19-23)30-16-13-22(14-17-30)18-21-8-3-2-4-9-21/h2-12,15,19,22,27,29H,13-14,16-18H2,1H3/p+2