[(3S)-3-methoxypiperidin-1-yl]-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone

Systemtic Name: [(3S)-3-methoxypiperidin-1-yl]-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone Openeye Name: [(3S)-3-methoxy-1-piperidyl]-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone CAS Name: [(3S)-3-methoxy-1-piperidinyl]-[5-methyl-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(3S)-3-methoxypiperidin-1-yl]-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(3S)-3-methoxypiperidino]-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCCC(C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCC[C@@H](C4)OC

InChI

InChI=1S/C25H33N3O3/c1-19-5-6-24(23(16-19)25(29)28-13-3-4-22(18-28)30-2)31-21-9-14-27(15-10-21)17-20-7-11-26-12-8-20/h5-8,11-12,16,21-22H,3-4,9-10,13-15,17-18H2,1-2H3/p+1/t22-/m0/s1