1-(3-azanylpropyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methanidyl-piperazin-4-ium-2-carboxamide

Systemtic Name: 1-(3-azanylpropyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methanidyl-piperazin-4-ium-2-carboxamide Openeye Name: 1-(3-aminopropyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methanidyl-piperazin-4-ium-2-carboxamide CAS Name: 1-(3-aminopropyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methanidyl-2-piperazin-4-iumcarboxamide IUPAC Name: 1-(3-aminopropyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methanidylpiperazin-4-ium-2-carboxamide Traditional Name: 1-(3-aminopropyl)-4-methanidyl-N-piperonyl-piperazin-4-ium-2-carboxamide Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-][NH+]1CCN(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)CCCN

Isomeric SMILES

[CH2-][NH+]1CCN(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)CCCN

InChI

InChI=1S/C17H26N4O3/c1-20-7-8-21(6-2-5-18)14(11-20)17(22)19-10-13-3-4-15-16(9-13)24-12-23-15/h3-4,9,14,20H,1-2,5-8,10-12,18H2,(H,19,22)