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

Systemtic Name: (2S)-2-(aminocarbonylamino)-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: (2S)-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-3-methyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: (2S)-2-(carbamoylamino)-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: (2S)-3-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-ureido-butyramide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-13(2)16(21-18(19)24)17(23)20-11-14-5-7-15(8-6-14)12-22-9-3-4-10-22/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,20,23)(H3,19,21,24)/p+1/t16-/m0/s1