[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-phenylbutan-2-yl]azanium

Systemtic Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-phenylbutan-2-yl]azanium Openeye Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1S)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl-[(2S)-4-phenylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-phenylbutan-2-yl]azanium Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1S)-1-methyl-3-phenyl-propyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]C(C)CCC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[NH2+][C@@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C17H28N2/c1-3-19-13-7-10-17(19)14-18-15(2)11-12-16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3/p+2/t15-,17-/m0/s1