4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-1-ium-1-ylmethoxy)phenyl]pentan-3-one

Systemtic Name: 4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-1-ium-1-ylmethoxy)phenyl]pentan-3-one Openeye Name: 2-(isopropylamino)-4-methyl-1-[4-(pyridin-1-ium-1-ylmethoxy)phenyl]pentan-3-one CAS Name: 4-methyl-2-(propan-2-ylamino)-1-[4-(1-pyridin-1-iumylmethoxy)phenyl]-3-pentanone IUPAC Name: 4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-1-ium-1-ylmethoxy)phenyl]pentan-3-one Traditional Name: 2-(isopropylamino)-4-methyl-1-[4-(pyridin-1-ium-1-ylmethoxy)phenyl]pentan-3-one Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(CC1=CC=C(C=C1)OC[N+]2=CC=CC=C2)NC(C)C

Isomeric SMILES

CC(C)C(=O)C(CC1=CC=C(C=C1)OC[N+]2=CC=CC=C2)NC(C)C

InChI

InChI=1S/C21H29N2O2/c1-16(2)21(24)20(22-17(3)4)14-18-8-10-19(11-9-18)25-15-23-12-6-5-7-13-23/h5-13,16-17,20,22H,14-15H2,1-4H3/q+1