1-adamantylmethyl-[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O2/c1-13(20(26)24-18-4-2-17(3-5-18)19(22)25)23-12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16,23H,6-12H2,1H3,(H2,22,25)(H,24,26)/p+1/t13-,14?,15?,16?,21?/m1/s1