[(2S,3S)-3-methyl-1-oxidanylidene-1-[(4-pyrrolidin-1-ylphenyl)amino]pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-[(4-pyrrolidin-1-ylphenyl)amino]pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[4-(1-pyrrolidinyl)anilino]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-(4-pyrrolidin-1-ylanilino)pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(4-pyrrolidinophenyl)carbamoyl]butyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)N2CCCC2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCC2)[NH3+]

InChI

InChI=1S/C16H25N3O/c1-3-12(2)15(17)16(20)18-13-6-8-14(9-7-13)19-10-4-5-11-19/h6-9,12,15H,3-5,10-11,17H2,1-2H3,(H,18,20)/p+1/t12-,15-/m0/s1