N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-(2-piperazine-1,4-diium-1-ylethyl)ethanamide

Systemtic Name: N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-(2-piperazine-1,4-diium-1-ylethyl)ethanamide Openeye Name: N-[(E)-3-(2-methoxyphenyl)allyl]-N-(2-piperazine-1,4-diium-1-ylethyl)acetamide CAS Name: N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-(1-piperazine-1,4-diiumyl)ethyl]acetamide IUPAC Name: N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-(2-piperazine-1,4-diium-1-ylethyl)acetamide Traditional Name: N-[(E)-3-(2-methoxyphenyl)allyl]-N-(2-piperazine-1,4-diium-1-ylethyl)acetamide Formula: C18H29N3O2+2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC[NH+]1CC[NH2+]CC1)CC=CC2=CC=CC=C2OC

Isomeric SMILES

CC(=O)N(CC[NH+]1CC[NH2+]CC1)C/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C18H27N3O2/c1-16(22)21(15-14-20-12-9-19-10-13-20)11-5-7-17-6-3-4-8-18(17)23-2/h3-8,19H,9-15H2,1-2H3/p+2/b7-5+