[(4S)-4-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]azanium

Systemtic Name: [(4S)-4-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]azanium Openeye Name: [(4S)-4-(4-isopropylphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]ammonium CAS Name: [(4S)-4-(4-propan-2-ylphenyl)-4-(1-pyrrolidin-1-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ium-1-ylbutyl]azanium Traditional Name: [(4S)-4-p-cumenyl-4-pyrrolidin-1-ium-1-yl-butyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CCC[NH3+])[NH+]2CCCC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CCC[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C17H28N2/c1-14(2)15-7-9-16(10-8-15)17(6-5-11-18)19-12-3-4-13-19/h7-10,14,17H,3-6,11-13,18H2,1-2H3/p+2/t17-/m0/s1