(2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium Traditional Name: [2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C23H33N3O2+2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O2/c1-18-6-11-22(28-3)20(14-18)16-25(2)17-23(27)24-21-9-7-19(8-10-21)15-26-12-4-5-13-26/h6-11,14H,4-5,12-13,15-17H2,1-3H3,(H,24,27)/p+2