dimethyl-[2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbamoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbamoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]carbamoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]amino]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbamoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]carbamoylamino]ethyl]ammonium Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)NCC[NH+](C)C

InChI

InChI=1S/C22H33N3O/c1-16-4-6-19(7-5-16)21-11-17-10-18(12-21)14-22(13-17,15-21)24-20(26)23-8-9-25(2)3/h4-7,17-18H,8-15H2,1-3H3,(H2,23,24,26)/p+1/t17-,18+,21?,22?