(2S)-2-(1,4-diazepan-4-ium-1-ylmethyl)-4-(phenylmethyl)morpholine

Systemtic Name: (2S)-2-(1,4-diazepan-4-ium-1-ylmethyl)-4-(phenylmethyl)morpholine Openeye Name: (2S)-4-benzyl-2-(1,4-diazepan-4-ium-1-ylmethyl)morpholine CAS Name: (2S)-2-(1,4-diazepan-4-ium-1-ylmethyl)-4-(phenylmethyl)morpholine IUPAC Name: (2S)-4-benzyl-2-(1,4-diazepan-4-ium-1-ylmethyl)morpholine Traditional Name: (2S)-4-benzyl-2-(1,4-diazepan-4-ium-1-ylmethyl)morpholine Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC2CN(CCO2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCN(C1)C[C@H]2CN(CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C17H27N3O/c1-2-5-16(6-3-1)13-20-11-12-21-17(15-20)14-19-9-4-7-18-8-10-19/h1-3,5-6,17-18H,4,7-15H2/p+1/t17-/m0/s1