[(2R)-2-(5-chloranyl-2-propoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(5-chloranyl-2-propoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(5-chloro-2-propoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(5-chloro-2-propoxyphenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(5-chloro-2-propoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(5-chloro-2-propoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C17H29ClN2O+2 MolecularWeight: 312.87796

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)C(C[NH3+])[NH+]2CCCC(C2)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)[C@H](C[NH3+])[NH+]2CCC[C@H](C2)C

InChI

InChI=1S/C17H27ClN2O/c1-3-9-21-17-7-6-14(18)10-15(17)16(11-19)20-8-4-5-13(2)12-20/h6-7,10,13,16H,3-5,8-9,11-12,19H2,1-2H3/p+2/t13-,16+/m1/s1