(3S)-1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[(5-chloro-2,3-dimethoxy-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-(5-chloro-2,3-dimethoxy-benzyl)-3-pyrrolidino-piperidin-1-ium Formula: C18H28ClN2O2+ MolecularWeight: 339.88012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)C[NH+]2CCCC(C2)N3CCCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)C[NH+]2CCC[C@@H](C2)N3CCCC3)OC

InChI

InChI=1S/C18H27ClN2O2/c1-22-17-11-15(19)10-14(18(17)23-2)12-20-7-5-6-16(13-20)21-8-3-4-9-21/h10-11,16H,3-9,12-13H2,1-2H3/p+1/t16-/m0/s1