3-azanyl-1-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 3-azanyl-1-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Openeye Name: 3-amino-1-benzyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide CAS Name: 3-amino-1-(phenylmethyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 3-amino-1-benzyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Traditional Name: 3-amino-1-benzyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Formula: C18H26N5O+ MolecularWeight: 328.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CN(N=C2N)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CN(N=C2N)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N5O/c19-17-16(14-23(21-17)13-15-7-2-1-3-8-15)18(24)20-9-6-12-22-10-4-5-11-22/h1-3,7-8,14H,4-6,9-13H2,(H2,19,21)(H,20,24)/p+1