N,2,5-trimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide

Systemtic Name: N,2,5-trimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide Openeye Name: N,2,5-trimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide CAS Name: N,2,5-trimethyl-N-[(1S)-2-phenyl-1-[1-(5-quinoxalinylmethyl)-4-piperidin-1-iumyl]ethyl]-3-pyrazolecarboxamide IUPAC Name: N,2,5-trimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide Traditional Name: N,2,5-trimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide Formula: C29H35N6O+ MolecularWeight: 483.6278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(C)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=C5C(=CC=C4)N=CC=N5)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=C5C(=CC=C4)N=CC=N5)C

InChI

InChI=1S/C29H34N6O/c1-21-18-27(34(3)32-21)29(36)33(2)26(19-22-8-5-4-6-9-22)23-12-16-35(17-13-23)20-24-10-7-11-25-28(24)31-15-14-30-25/h4-11,14-15,18,23,26H,12-13,16-17,19-20H2,1-3H3/p+1/t26-/m0/s1