(3-methoxyphenyl)methyl-[2-[(2R)-5-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyrrolidin-2-yl]ethyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-[2-[(2R)-5-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyrrolidin-2-yl]ethyl]azanium Openeye Name: (3-methoxyphenyl)methyl-[2-[(2R)-5-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyrrolidin-2-yl]ethyl]ammonium CAS Name: (3-methoxyphenyl)methyl-[2-[(2R)-5-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-2-pyrrolidinyl]ethyl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-[2-[(2R)-5-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyrrolidin-2-yl]ethyl]azanium Traditional Name: 2-[(2R)-5-keto-1-(2-piperidin-1-ium-1-ylethyl)pyrrolidin-2-yl]ethyl-m-anisyl-ammonium Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH2+]CCC2CCC(=O)N2CC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH2+]CC[C@H]2CCC(=O)N2CC[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3O2/c1-26-20-7-5-6-18(16-20)17-22-11-10-19-8-9-21(25)24(19)15-14-23-12-3-2-4-13-23/h5-7,16,19,22H,2-4,8-15,17H2,1H3/p+2/t19-/m1/s1