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

Systemtic Name: azepan-1-yl-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone Openeye Name: azepan-1-yl-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone CAS Name: 1-azepanyl-[5-methyl-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: azepan-1-yl-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: azepan-1-yl-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O2/c1-20-6-7-24(23(18-20)25(29)28-14-4-2-3-5-15-28)30-22-10-16-27(17-11-22)19-21-8-12-26-13-9-21/h6-9,12-13,18,22H,2-5,10-11,14-17,19H2,1H3/p+1