[(2R)-2-(3-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-butoxyphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(3-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCCCC2C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C18H30N2O/c1-3-4-12-21-17-10-7-9-16(13-17)18(14-19)20-11-6-5-8-15(20)2/h7,9-10,13,15,18H,3-6,8,11-12,14,19H2,1-2H3/p+2/t15-,18-/m0/s1