[(3S)-1-[[4-(diethylamino)-2-methyl-phenyl]methyl]pyrrolidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[[4-(diethylamino)-2-methyl-phenyl]methyl]pyrrolidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[[4-(diethylamino)-2-methyl-phenyl]methyl]pyrrolidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[[4-(diethylamino)-2-methylphenyl]methyl]-3-pyrrolidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[[4-(diethylamino)-2-methylphenyl]methyl]pyrrolidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[4-(diethylamino)-2-methyl-benzyl]pyrrolidin-1-ium-3-yl]methanol Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CCC(C2)CO)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CC[C@@H](C2)CO)C

InChI

InChI=1S/C17H28N2O/c1-4-19(5-2)17-7-6-16(14(3)10-17)12-18-9-8-15(11-18)13-20/h6-7,10,15,20H,4-5,8-9,11-13H2,1-3H3/p+1/t15-/m0/s1