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

Systemtic Name: 2-methyl-3-[(R)-[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-2-yl-methyl]-1H-indole Openeye Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]-2-methyl-1H-indole CAS Name: 2-methyl-3-[(R)-[4-(phenylmethyl)-1-piperidin-1-iumyl]-(2-pyridinyl)methyl]-1H-indole IUPAC Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]-2-methyl-1H-indole Formula: C27H30N3+ MolecularWeight: 396.5472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=CC=N3)[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3/c1-20-26(23-11-5-6-12-24(23)29-20)27(25-13-7-8-16-28-25)30-17-14-22(15-18-30)19-21-9-3-2-4-10-21/h2-13,16,22,27,29H,14-15,17-19H2,1H3/p+1/t27-/m0/s1