[(1S)-2-azaniumyl-1-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-4-ethoxy-5-methoxy-phenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-4-ethoxy-5-methoxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-4-ethoxy-5-methoxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-4-ethoxy-5-methoxy-phenyl)ethyl]-dipropyl-ammonium Formula: C17H31ClN2O2+2 MolecularWeight: 330.89324

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=CC(=C(C(=C1)Cl)OCC)OC

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=CC(=C(C(=C1)Cl)OCC)OC

InChI

InChI=1S/C17H29ClN2O2/c1-5-8-20(9-6-2)15(12-19)13-10-14(18)17(22-7-3)16(11-13)21-4/h10-11,15H,5-9,12,19H2,1-4H3/p+2/t15-/m1/s1