(3S)-3-(5-methyl-2-propan-2-yl-phenoxy)pyrrolidin-1-ium

Systemtic Name: (3S)-3-(5-methyl-2-propan-2-yl-phenoxy)pyrrolidin-1-ium Openeye Name: (3S)-3-(2-isopropyl-5-methyl-phenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-(5-methyl-2-propan-2-ylphenoxy)pyrrolidin-1-ium IUPAC Name: (3S)-3-(5-methyl-2-propan-2-ylphenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(2-isopropyl-5-methyl-phenoxy)pyrrolidin-1-ium Formula: C14H22NO+ MolecularWeight: 220.33058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2CC[NH2+]C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)O[C@H]2CC[NH2+]C2

InChI

InChI=1S/C14H21NO/c1-10(2)13-5-4-11(3)8-14(13)16-12-6-7-15-9-12/h4-5,8,10,12,15H,6-7,9H2,1-3H3/p+1/t12-/m0/s1