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

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[[4-(1-piperidyl)phenyl]carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[4-(1-piperidinyl)anilino]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(4-piperidinophenyl)carbamoyl]butyl]ammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH3+]

InChI

InChI=1S/C17H27N3O/c1-3-13(2)16(18)17(21)19-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,13,16H,3-6,11-12,18H2,1-2H3,(H,19,21)/p+1/t13-,16-/m0/s1