[1-[1-(4-azanyl-3-methyl-phenyl)pyrrolidin-3-yl]-2-oxidanylidene-2-phosphonooxy-ethyl]-trimethyl-azanium

Systemtic Name: [1-[1-(4-azanyl-3-methyl-phenyl)pyrrolidin-3-yl]-2-oxidanylidene-2-phosphonooxy-ethyl]-trimethyl-azanium Openeye Name: [1-[1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-2-oxo-2-phosphonooxy-ethyl]-trimethyl-ammonium CAS Name: [1-[1-(4-amino-3-methylphenyl)-3-pyrrolidinyl]-2-oxo-2-phosphonooxyethyl]-trimethylammonium IUPAC Name: [1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]-2-oxo-2-phosphonooxyethyl]-trimethylazanium Traditional Name: [1-[1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-2-keto-2-phosphonooxy-ethyl]-trimethyl-ammonium Formula: C16H27N3O5P+ MolecularWeight: 372.376441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C2)C(C(=O)OP(=O)(O)O)[N+](C)(C)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(C2)C(C(=O)OP(=O)(O)O)[N+](C)(C)C)N

InChI

InChI=1S/C16H26N3O5P/c1-11-9-13(5-6-14(11)17)18-8-7-12(10-18)15(19(2,3)4)16(20)24-25(21,22)23/h5-6,9,12,15H,7-8,10,17H2,1-4H3,(H-,21,22,23)/p+1