N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-pyrrolidin-1-yl-quinazolin-3-ium-4-amine

Systemtic Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-pyrrolidin-1-yl-quinazolin-3-ium-4-amine Openeye Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-pyrrolidin-1-yl-quinazolin-3-ium-4-amine CAS Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-(1-pyrrolidinyl)-4-quinazolin-3-iumamine IUPAC Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-pyrrolidin-1-ylquinazolin-3-ium-4-amine Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(2-pyrrolidinoquinazolin-3-ium-4-yl)amine Formula: C24H33N4+ MolecularWeight: 377.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC4=[NH+]C(=NC5=CC=CC=C54)N6CCCC6)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC4=[NH+]C(=NC5=CC=CC=C54)N6CCCC6)C

InChI

InChI=1S/C24H32N4/c1-22-11-17-12-23(2,14-22)16-24(13-17,15-22)27-20-18-7-3-4-8-19(18)25-21(26-20)28-9-5-6-10-28/h3-4,7-8,17H,5-6,9-16H2,1-2H3,(H,25,26,27)/p+1/t17?,22-,23+,24?