2-adamantyl-[(3S,5S)-5-(methylcarbamoyl)-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]azanium

Systemtic Name: 2-adamantyl-[(3S,5S)-5-(methylcarbamoyl)-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]azanium Openeye Name: 2-adamantyl-[(3S,5S)-5-(methylcarbamoyl)-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-3-yl]ammonium CAS Name: 2-adamantyl-[(3S,5S)-5-(methylcarbamoyl)-1-(1-propyl-4-piperidinyl)-3-pyrrolidin-1-iumyl]ammonium IUPAC Name: 2-adamantyl-[(3S,5S)-5-(methylcarbamoyl)-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]azanium Traditional Name: 2-adamantyl-[(3S,5S)-5-(methylcarbamoyl)-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-3-yl]ammonium Formula: C24H44N4O+2 MolecularWeight: 404.63236

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CC(CC2C(=O)NC)[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2C[C@H](C[C@H]2C(=O)NC)[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H42N4O/c1-3-6-27-7-4-21(5-8-27)28-15-20(14-22(28)24(29)25-2)26-23-18-10-16-9-17(12-18)13-19(23)11-16/h16-23,26H,3-15H2,1-2H3,(H,25,29)/p+2/t16?,17?,18?,19?,20-,22-,23?/m0/s1