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

Systemtic Name: (2S)-2-methyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]butanamide Openeye Name: (2S)-2-methyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]butanamide CAS Name: (2S)-2-methyl-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]butanamide IUPAC Name: (2S)-2-methyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]butanamide Traditional Name: (2S)-2-methyl-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]butyramide Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC[C@H](C)C(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C23H30N2O/c1-3-18(2)23(26)24-16-21-8-4-5-9-22(21)20-12-10-19(11-13-20)17-25-14-6-7-15-25/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,24,26)/p+1/t18-/m0/s1