4-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(2-methylphenoxy)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2-methylphenoxy)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C23H30N2O2/c1-19-9-2-5-12-22(19)27-16-8-13-23(26)24-17-20-10-3-4-11-21(20)18-25-14-6-7-15-25/h2-5,9-12H,6-8,13-18H2,1H3,(H,24,26)/p+1