dimethyl-[(2S)-2-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium Openeye Name: [(2S)-2-[(1-isopropylpiperidin-1-ium-4-yl)amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-2-phenyl-2-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium Traditional Name: [(2S)-2-[(1-isopropylpiperidin-1-ium-4-yl)amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H31N3/c1-15(2)21-12-10-17(11-13-21)19-18(14-20(3)4)16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3/p+2/t18-/m1/s1