1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C23H34N5O+ MolecularWeight: 396.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C(=O)CCCN3C=NC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C(=O)CCCN3C=NC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H33N5O/c29-23(7-4-12-28-19-24-18-25-28)27-15-10-21(11-16-27)22-9-14-26(17-22)13-8-20-5-2-1-3-6-20/h1-3,5-6,18-19,21-22H,4,7-17H2/p+1/t22-/m0/s1