methyl-[3-[[(3S)-2-oxidanylideneazepan-3-yl]azaniumyl]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[[(3S)-2-oxidanylideneazepan-3-yl]azaniumyl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[(3S)-2-oxoazepan-3-yl]ammonio]propyl]ammonium CAS Name: methyl-[3-[[(3S)-2-oxo-3-azepanyl]ammonio]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[(3S)-2-oxoazepan-3-yl]azaniumyl]propyl]azanium Traditional Name: benzyl-[3-[[(3S)-2-ketoazepan-3-yl]ammonio]propyl]-methyl-ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH2+]C1CCCCNC1=O)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC[NH2+][C@H]1CCCCNC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-20(14-15-8-3-2-4-9-15)13-7-12-18-16-10-5-6-11-19-17(16)21/h2-4,8-9,16,18H,5-7,10-14H2,1H3,(H,19,21)/p+2/t16-/m0/s1