N-cyclopropyl-2-[4-[(3-prop-2-enoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(3-prop-2-enoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(3-allyloxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[(3-prop-2-enoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(3-prop-2-enoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(3-allyloxybenzyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide Formula: C19H29N3O2+2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C19H27N3O2/c1-2-12-24-18-5-3-4-16(13-18)14-21-8-10-22(11-9-21)15-19(23)20-17-6-7-17/h2-5,13,17H,1,6-12,14-15H2,(H,20,23)/p+2