1-adamantylmethyl-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH2+]CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH2+]CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O3/c1-13(20(24)23-17-2-3-18-19(7-17)26-12-25-18)22-11-21-8-14-4-15(9-21)6-16(5-14)10-21/h2-3,7,13-16,22H,4-6,8-12H2,1H3,(H,23,24)/p+1/t13-,14?,15?,16?,21?/m1/s1