1-(3-azanylpropyl)-4-methanidyl-N-(naphthalen-1-ylmethyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 1-(3-azanylpropyl)-4-methanidyl-N-(naphthalen-1-ylmethyl)piperazin-4-ium-2-carboxamide Openeye Name: 1-(3-aminopropyl)-4-methanidyl-N-(1-naphthylmethyl)piperazin-4-ium-2-carboxamide CAS Name: 1-(3-aminopropyl)-4-methanidyl-N-(1-naphthalenylmethyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 1-(3-aminopropyl)-4-methanidyl-N-(naphthalen-1-ylmethyl)piperazin-4-ium-2-carboxamide Traditional Name: 1-(3-aminopropyl)-4-methanidyl-N-(1-naphthylmethyl)piperazin-4-ium-2-carboxamide Formula: C20H28N4O MolecularWeight: 340.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-][NH+]1CCN(C(C1)C(=O)NCC2=CC=CC3=CC=CC=C32)CCCN

Isomeric SMILES

[CH2-][NH+]1CCN(C(C1)C(=O)NCC2=CC=CC3=CC=CC=C32)CCCN

InChI

InChI=1S/C20H28N4O/c1-23-12-13-24(11-5-10-21)19(15-23)20(25)22-14-17-8-4-7-16-6-2-3-9-18(16)17/h2-4,6-9,19,23H,1,5,10-15,21H2,(H,22,25)