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

Systemtic Name: 2-adamantyl-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]azanium Openeye Name: 2-adamantyl-[(3R,5S)-5-(isopropylcarbamoyl)-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-3-yl]ammonium CAS Name: 2-adamantyl-[(3R,5S)-5-[oxo-(propan-2-ylamino)methyl]-1-(1-propyl-4-piperidinyl)-3-pyrrolidin-1-iumyl]ammonium IUPAC Name: 2-adamantyl-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-3-yl]azanium Traditional Name: 2-adamantyl-[(3R,5S)-5-(isopropylcarbamoyl)-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-3-yl]ammonium Formula: C26H48N4O+2 MolecularWeight: 432.68552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46N4O/c1-4-7-29-8-5-23(6-9-29)30-16-22(15-24(30)26(31)27-17(2)3)28-25-20-11-18-10-19(13-20)14-21(25)12-18/h17-25,28H,4-16H2,1-3H3,(H,27,31)/p+2/t18?,19?,20?,21?,22-,24+,25?/m1/s1