1-[(2S)-butan-2-yl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[(1S)-1-methylpropyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2S)-butan-2-yl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2S)-butan-2-yl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-[(1S)-1-methylpropyl]-1,4-diazepan-1-ium-5-one Formula: C13H25N2O+ MolecularWeight: 225.3504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCC(=O)N(CC1)CC2CC2

Isomeric SMILES

CC[C@H](C)[NH+]1CCC(=O)N(CC1)CC2CC2

InChI

InChI=1S/C13H24N2O/c1-3-11(2)14-7-6-13(16)15(9-8-14)10-12-4-5-12/h11-12H,3-10H2,1-2H3/p+1/t11-/m0/s1