[3-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-methylpropyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-keto-3-[[(1S)-1-methylpropyl]-piperonyl-amino]propyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)CC[NH3+]

Isomeric SMILES

CC[C@H](C)N(CC1=CC2=C(C=C1)OCO2)C(=O)CC[NH3+]

InChI

InChI=1S/C15H22N2O3/c1-3-11(2)17(15(18)6-7-16)9-12-4-5-13-14(8-12)20-10-19-13/h4-5,8,11H,3,6-7,9-10,16H2,1-2H3/p+1/t11-/m0/s1