(3S)-N-(4-methylsulfanylphenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-methylsulfanylphenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-(4-methylsulfanylphenyl)pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[4-(methylthio)phenyl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-(4-methylsulfanylphenyl)pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[4-(methylthio)phenyl]amine Formula: C18H23N2S+ MolecularWeight: 299.45362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2S/c1-21-18-9-7-16(8-10-18)19-17-11-12-20(14-17)13-15-5-3-2-4-6-15/h2-10,17,19H,11-14H2,1H3/p+1/t17-/m0/s1