[(2S)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: [(2S)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: [(1S)-3-(4-methoxyanilino)-1-methyl-3-oxo-propyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: [(2S)-4-(4-methoxyanilino)-4-oxobutan-2-yl]-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-4-(4-methoxyanilino)-4-oxobutan-2-yl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: [(1S)-3-keto-1-methyl-3-(p-anisidino)propyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)OC)[NH2+]CC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=C(C=C1)OC)[NH2+]CC[NH+]2CCCC2

InChI

InChI=1S/C17H27N3O2/c1-14(18-9-12-20-10-3-4-11-20)13-17(21)19-15-5-7-16(22-2)8-6-15/h5-8,14,18H,3-4,9-13H2,1-2H3,(H,19,21)/p+2/t14-/m0/s1