(2R)-2-acetamido-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: (2R)-2-acetamido-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: (2R)-2-acetamido-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: (2R)-2-acetamido-3-methyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: (2R)-2-acetamido-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: (2R)-2-acetamido-3-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NC(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NC(=O)C

InChI

InChI=1S/C19H29N3O2/c1-14(2)18(21-15(3)23)19(24)20-12-16-6-8-17(9-7-16)13-22-10-4-5-11-22/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,20,24)(H,21,23)/p+1/t18-/m1/s1