2-methyl-6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyridin-1-ium

Systemtic Name: 2-methyl-6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyridin-1-ium Openeye Name: 2-methyl-6-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyridin-1-ium CAS Name: 2-methyl-6-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]pyridin-1-ium IUPAC Name: 2-methyl-6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyridin-1-ium Traditional Name: 2-methyl-6-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]pyridin-1-ium Formula: C21H30N4+2 MolecularWeight: 338.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H28N4/c1-17-4-2-6-21(23-17)25-13-9-20(16-25)19-7-11-24(12-8-19)15-18-5-3-10-22-14-18/h2-6,10,14,19-20H,7-9,11-13,15-16H2,1H3/p+2/t20-/m0/s1