(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-N-[(1R)-1-thiophen-2-ylpropyl]butan-1-amine

Systemtic Name: (2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-N-[(1R)-1-thiophen-2-ylpropyl]butan-1-amine Openeye Name: (2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-N-[(1R)-1-(2-thienyl)propyl]butan-1-amine CAS Name: (2S)-3-methyl-2-(1-pyrrolidin-1-iumyl)-N-[(1R)-1-thiophen-2-ylpropyl]-1-butanamine IUPAC Name: (2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-N-[(1R)-1-thiophen-2-ylpropyl]butan-1-amine Traditional Name: [(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-[(1R)-1-(2-thienyl)propyl]amine Formula: C16H29N2S+ MolecularWeight: 281.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)NCC(C(C)C)[NH+]2CCCC2

Isomeric SMILES

CC[C@H](C1=CC=CS1)NC[C@H](C(C)C)[NH+]2CCCC2

InChI

InChI=1S/C16H28N2S/c1-4-14(16-8-7-11-19-16)17-12-15(13(2)3)18-9-5-6-10-18/h7-8,11,13-15,17H,4-6,9-10,12H2,1-3H3/p+1/t14-,15-/m1/s1