1-[4-(3-methyl-4-propan-2-yl-phenoxy)butyl]pyrrolidin-1-ium

Systemtic Name: 1-[4-(3-methyl-4-propan-2-yl-phenoxy)butyl]pyrrolidin-1-ium Openeye Name: 1-[4-(4-isopropyl-3-methyl-phenoxy)butyl]pyrrolidin-1-ium CAS Name: 1-[4-(3-methyl-4-propan-2-ylphenoxy)butyl]pyrrolidin-1-ium IUPAC Name: 1-[4-(3-methyl-4-propan-2-ylphenoxy)butyl]pyrrolidin-1-ium Traditional Name: 1-[4-(4-isopropyl-3-methyl-phenoxy)butyl]pyrrolidin-1-ium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC[NH+]2CCCC2)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC[NH+]2CCCC2)C(C)C

InChI

InChI=1S/C18H29NO/c1-15(2)18-9-8-17(14-16(18)3)20-13-7-6-12-19-10-4-5-11-19/h8-9,14-15H,4-7,10-13H2,1-3H3/p+1