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

Systemtic Name: 2-chloranyl-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-(2-piperazine-1,4-diium-1-ylethyl)benzamide Openeye Name: 2-chloro-N-[(E)-3-(2-methoxyphenyl)allyl]-N-(2-piperazine-1,4-diium-1-ylethyl)benzamide CAS Name: 2-chloro-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-(1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: 2-chloro-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-(2-piperazine-1,4-diium-1-ylethyl)benzamide Traditional Name: 2-chloro-N-[(E)-3-(2-methoxyphenyl)allyl]-N-(2-piperazine-1,4-diium-1-ylethyl)benzamide Formula: C23H30ClN3O2+2 MolecularWeight: 415.9562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCN(CC[NH+]2CC[NH2+]CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=CC=C1/C=C/CN(CC[NH+]2CC[NH2+]CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H28ClN3O2/c1-29-22-11-5-2-7-19(22)8-6-14-27(18-17-26-15-12-25-13-16-26)23(28)20-9-3-4-10-21(20)24/h2-11,25H,12-18H2,1H3/p+2/b8-6+